SCHEMBL4909199

SCHEMBL4909199

COc1cc(Br)ccc1Nc1c(Br)cnn1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.42
HTR2C P28335 9/20 0.42
HTT P42858 2/20 0.41
TTK P33981 2/20 0.41
NPC1 O15118 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SHMT2 P34897 1/20 0.37
EGFR P00533 1/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
KDR P35968 1/20 0.36
LPAR1 Q92633 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
SCHEMBL4908487 0.80 GAA (0.46) HTTNPC1MEN1KMT2AMAPT
SCHEMBL4901511 0.80 HTR2C (0.44) HTR2AHTR2CHTTTTK
SCHEMBL4903210 0.78 HTR2A (0.43) HTR2ATTKKDR
SCHEMBL4905863 0.70 PIK3CA (0.41) HTR2AHTR2CHTTEGFR
SCHEMBL30696439 0.70 LPAR1 (0.44) NPC1NCOA1NCOA3MEN1KMT2A
SCHEMBL6122420 0.70 LPAR1 (0.44) NPC1NCOA1NCOA3MEN1KMT2A
SCHEMBL4911508 0.69 HTR2A (0.43) HTR2AHTR2C
SCHEMBL4910787 0.69 MAPT (0.50) HTR2AHTR2CHTTNPC1MEN1
Hydrochloric Acid SCHEMBL20820070 0.69 LPAR1 (0.43) NPC1NCOA1NCOA3MEN1KMT2A
SCHEMBL4909185 0.69 GAA (0.43) HTR2AHTR2CHTTMEN1KMT2A

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 2 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 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 5/4885HTT 993/4885

“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.