SCHEMBL4908516

SCHEMBL4908516

Cn1ncc(Br)c1Nc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
TRPA1 O75762 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
EPHX2 P34913 1/20 0.35
BCDIN3D Q7Z5W3 2/20 0.34
NR3C1 P04150 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL4911756 0.85 KIF11 (0.45) HTR2AHTR2CBCDIN3D
SCHEMBL4908585 0.85 TRPA1 (0.51) HTR2AHTR2CTRPA1S1PR1S1PR3
SCHEMBL4910049 0.81 BRD4 (0.47) HTR2AHTR2CEPHX2NR3C1
SCHEMBL4909812 0.78 HTR2A (0.41) HTR2AHTR2CTRPA1TRPV3
SCHEMBL4903258 0.76 KIF11 (0.38)
SCHEMBL4900743 0.75 PSEN1 (0.40) HTR2AHTR2C
SCHEMBL4905855 0.73 BPTF (0.46) HTR2AHTR2C
SCHEMBL4905302 0.73 BRD4 (0.43) HTR2AHTR2CEPHX2
SCHEMBL4911346 0.73 BRD4 (0.42) HTR2AHTR2C
SCHEMBL4911357 0.72 HTR2A (0.51) HTR2ABCDIN3D

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 2/4885HTR2C 5/4885TRPA1 180/4885

“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.