SCHEMBL4900772

SCHEMBL4900772

Cn1ncc(Br)c1Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AHR P35869 2/20 0.38
HTR2A P28223 2/20 0.37
AKT1 P31749 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 2/20 0.36
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4908676 0.86 HTR2A (0.45) MEN1KMT2AHTR2AHTTHTR2C
SCHEMBL4909812 0.85 HTR2A (0.41) KCNH2MEN1KMT2AHTR2AHTR2C
SCHEMBL4910942 0.84 HTR2A (0.46) MEN1KMT2AHTR2AHTR2CKDM4E
SCHEMBL4910787 0.83 MAPT (0.50) MEN1KMT2AHTR2AHTTHTR2C
SCHEMBL4912282 0.82 MEN1 (0.38) MEN1KMT2AHTR2AHTTHTR2C
SCHEMBL4913037 0.81 KDM4E (0.50) MEN1KMT2AHTR2AHTTKDM4E
SCHEMBL4908312 0.81 HAVCR2 (0.43) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL4909053 0.81 MEN1 (0.39) MEN1KMT2AHTR2AHTTHTR2C
SCHEMBL4906416 0.81 BRD4 (0.43) MEN1KMT2AHTR2AAKT1MAOB
SCHEMBL4905893 0.80 CREBBP (0.39) KCNH2MEN1KMT2AHTTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US claimed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 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 (1 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-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A KCNH2 734/4885MEN1 3885/4885KMT2A 1390/4885

“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.