SCHEMBL4909184

SCHEMBL4909184

Cn1ncc(Br)c1Nc1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
SCN5A Q14524 2/20 0.41
SYK P43405 2/20 0.40
BRAF P15056 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
ABL1 P00519 5/20 0.39
BCR P11274 1/20 0.39
KDR P35968 1/20 0.38
MAP4K1 Q92918 1/20 0.37
KCNH2 Q12809 1/20 0.37
KIF11 P52732 1/20 0.36

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
SCHEMBL4908416 0.89 HTR2A (0.51) HTR2ABRD4CREBBPBCDIN3DABL1
SCHEMBL4911357 0.88 HTR2A (0.51) HTR2ABRAFBRD4CREBBPBCDIN3D
SCHEMBL4909825 0.86 BCDIN3D (0.50) HTR2ASYKBRAFBCDIN3DABL1
SCHEMBL4901251 0.83 BCDIN3D (0.45) HTR2ASYKBRD4BCDIN3D
SCHEMBL5946688 0.82 HTR2A (0.76) HTR2ABRAFBCDIN3DABL1BCR
SCHEMBL4903210 0.81 HTR2A (0.43) HTR2ASCN5AKDR
SCHEMBL5946762 0.79 HTR2A (0.68) HTR2ASYKKDRKCNH2KIF11
SCHEMBL4910049 0.78 BRD4 (0.47) HTR2ABRD4CREBBPKDRKCNH2
SCHEMBL4907250 0.76 BRD4 (0.45) HTR2ABRD4CREBBPBCDIN3D
SCHEMBL4905863 0.74 PIK3CA (0.41) HTR2A

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 HTR2A 2/4885SCN5A 26/4885SYK 271/4885

“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.