SCHEMBL4252916

SCHEMBL4252916

Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 10/20 0.72
KCNK9 Q9NPC2 8/20 0.72
KCNH2 Q12809 1/20 0.72
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
RXFP1 Q9HBX9 1/20 0.68
POLB P06746 1/20 0.67
P2RY2 P41231 1/20 0.63
GPR17 Q13304 1/20 0.63
MAPK14 Q16539 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL19662802 0.87 TP53 (0.68) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL17818408 0.86 KCNK3 (0.72) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL2173418 0.85 HTT (0.71) KCNK3KCNK9MEN1KMT2ANPC1
SCHEMBL13210705 0.85 NAMPT (0.66) KCNK3KCNK9MEN1KMT2AMAPK14
SCHEMBL4253897 0.85 KCNK3 (0.93) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL259705 0.84 MEN1 (0.65) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL27383419 0.84 NPC1 (0.63) P2RY2GPR17NPC1RAB9ATP53
SCHEMBL8086756 0.84 MAPT (0.50) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL7335241 0.84 PLAU (0.62) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL21237393 0.82 LMNA (0.56) MEN1KMT2ARXFP1MAPK14MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP KCNK3 1817/4885KCNK9 2562/4885KCNH2 2581/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 KCNK3 1019/4885KCNK9 1229/4885KCNH2 302/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP KCNK3 1817/4885KCNK9 2562/4885KCNH2 2581/4885

“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.