SCHEMBL4905855

SCHEMBL4905855

Cn1ncc(Br)c1Nc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.46
HTR2C P28335 9/20 0.43
HTR2A P28223 1/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TXN P10599 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
GAA P10253 1/20 0.39
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4911346 0.90 BRD4 (0.42) BPTFHTR2CHTR2AKMT2ASMN1; SMN2
SCHEMBL4910787 0.88 MAPT (0.50) BPTFHTR2CHTR2AKMT2ASMN1; SMN2
SCHEMBL4907250 0.86 BRD4 (0.45) HTR2CHTR2AKMT2ASMN1; SMN2BRD4
SCHEMBL4913037 0.86 KDM4E (0.50) BPTFHTR2AKMT2ASMN1; SMN2BRD4
SCHEMBL4908312 0.86 HAVCR2 (0.43) KMT2ASMN1; SMN2BRD4CREBBPGAA
SCHEMBL4906416 0.86 BRD4 (0.43) BPTFHTR2CHTR2AKMT2ASMN1; SMN2
SCHEMBL4905893 0.85 CREBBP (0.39) BPTFKMT2ASMN1; SMN2CREBBPGAA
SCHEMBL4908676 0.85 HTR2A (0.45) HTR2CHTR2AKMT2ASMN1; SMN2BRD4
SCHEMBL4900743 0.84 PSEN1 (0.40) BPTFHTR2CHTR2AGAAPTK2
SCHEMBL4911756 0.84 KIF11 (0.45) HTR2CHTR2ABRD4CREBBPKDM4E

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 6 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
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 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 BPTF 4512/4885HTR2C 5/4885HTR2A 2/4885

“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.