SCHEMBL3140063

SCHEMBL3140063

Cc1c(Br)c(C(=O)N2CCN(CCc3ccc(F)cc3)CC2)nn1C

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.72
HTR2C P28335 6/20 0.72
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
PRKAA2 P54646 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3143258 0.87 HTR2A (0.62) HTR2AHTR2CKCNH2KMT2ATMEM97
SCHEMBL3148091 0.83 HTR2A (0.56) HTR2AHTR2CKCNH2TMEM97
SCHEMBL3143861 0.83 HTR2A (0.56) HTR2AHTR2CKCNH2TMEM97
SCHEMBL3143852 0.83 HTR2A (0.56) HTR2AHTR2CKCNH2TMEM97
SCHEMBL3144485 0.82 HTR2A (0.62) HTR2AHTR2CMEN1KMT2APRKAA2
SCHEMBL27787833 0.81 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL3139495 0.81 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4783828 0.80 HTR2A (0.62) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL27787836 0.80 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL3134453 0.80 HTR2A (0.71) HTR2AHTR2CPRKAA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434692-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-09-06 US claimed
EP-2066641-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2014-06-04 EP claimed
US-20130217700-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-08-22 US claimed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US claimed
EP-2066641-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-06-10 EP claimed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO claimed
US-11304932-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of hallucinations associated with a neurodegenerative disease AXOVANT SCIENCES GMBH (CH) 2022-04-19 US disclosed
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-12-09 US disclosed
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-12-09 US disclosed
US-20210177804-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE AXOVANT SCIENCES GMBH (CH) 2021-06-17 US disclosed
US-20210177804-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE AXOVANT SCIENCES GMBH (CH) 2021-06-17 US disclosed
US-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2021-05-06 US disclosed
US-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2021-05-06 US disclosed
CN-101611013-B As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC 2012-09-05 CN disclosed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
EP-2066641-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B HTR2A 2/4885HTR2C 7/4885KCNH2 527/4885
US-20130217700-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR2C 3/4885KCNH2 580/4885
US-11304932-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of hallucinations associated with a neurodegenerative disease HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 4/4885KCNH2 1575/4885
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B HTR2A 2/4885HTR2C 7/4885KCNH2 527/4885
US-20210177804-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 4/4885KCNH2 1575/4885
US-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS HTR2A, HTR1A, HTR3B HTR2A 1/4885HTR2C 5/4885KCNH2 796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.