SCHEMBL4901511

SCHEMBL4901511

COc1cc(-c2cccc(F)c2)ccc1Nc1c(Br)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.44
HTR2A P28223 5/20 0.44
KIT P10721 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FYN P06241 4/20 0.40
TTK P33981 2/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LRRK2 Q5S007 2/20 0.38
PDE4B Q07343 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL4907250 0.81 BRD4 (0.45) HTR2CHTR2AFYNGAA
SCHEMBL4903210 0.81 HTR2A (0.43) HTR2ATTKLRRK2
SCHEMBL4909199 0.80 HTR2A (0.42) HTR2CHTR2ATTKHTT
SCHEMBL4911508 0.74 HTR2A (0.43) HTR2CHTR2APDGFRBPDGFRA
SCHEMBL4909185 0.73 GAA (0.43) HTR2CHTR2AGAAHTT
SCHEMBL4905863 0.72 PIK3CA (0.41) HTR2CHTR2AHTTABCG2
SCHEMBL4909825 0.72 BCDIN3D (0.50) HTR2CHTR2AFYNABCG2
SCHEMBL15202541 0.72 FYN (0.51) HTR2CKITPDGFRBPDGFRAFYN
SCHEMBL5799335 0.72 KMT2A (0.40) HTR2ATTK
SCHEMBL23087238 0.70 HTR2A (0.50) HTR2CHTR2AGAA

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 HTR2C 5/4885HTR2A 2/4885KIT 922/4885

“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.