SCHEMBL4153694

SCHEMBL4153694

CNCc1ccc(CN)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.46
SOS1 Q07889 1/20 0.43
CYP2C19 P33261 9/20 0.42
CYP2D6 P10635 8/20 0.42
CYP2A6 P11509 8/20 0.42
CYP2C9 P11712 6/20 0.42
CYP2B6 P20813 7/20 0.41
CYP2E1 P05181 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP1A2 P05177 5/20 0.35
CYP2C8 P10632 4/20 0.35
PRMT6 Q96LA8 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 1/20 0.33
MAPT P10636 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CA2 P00918 1/20 0.31
HRH1 P35367 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL18163838 0.88 CD274 (0.53) CD274SOS1CYP2C19CYP2D6CYP2A6
SCHEMBL30704427 0.80
SCHEMBL183214 0.80
SCHEMBL10990263 0.78 CYP2C19 (0.48) CYP2C19CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL1733897 0.77 CD274 (0.46) CD274SOS1CYP2C19CYP2D6CYP2A6
Hydrochloric Acid SCHEMBL25381774 0.77 CYP2A6 (0.52) CYP2C19CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL11368828 0.75 CD274 (0.38) CD274SOS1CYP2C19CYP2D6CYP2A6
SCHEMBL10741444 0.75 PRMT6 (0.61) CD274SOS1PRMT6
SCHEMBL10061630 0.74
SCHEMBL24139858 0.74

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
EP-2989144-B1 POLYIMIDES, PROCESSES FOR PRODUCING SAID POLYIMIDES AND ARTICLES OBTAINED FROM SAID POLYIMIDES RHODIA OPERATIONS (FR) 2017-05-17 EP disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CD274 4229/4885SOS1 811/4885CYP2C19 1141/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CD274 4019/4885SOS1 720/4885CYP2C19 1926/4885

“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.