SCHEMBL5094067

SCHEMBL5094067

CC(C)c1csc(CC#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.35
HBB P68871 1/20 0.35
GAA P10253 2/20 0.33
UCHL1 P09936 1/20 0.33
CCR4 P51679 1/20 0.33
MAPK1 P28482 1/20 0.32
AR P10275 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8276154 0.76 MEN1 (0.39) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL2644081 0.75 KMT2A (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL5779031 0.75 KMT2A (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL27831902 0.75 KMT2A (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL9258490 0.75 KMT2A (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL13986776 0.75 MEN1 (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL5779345 0.75 KMT2A (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL12120609 0.75 ALDH1A1 (0.40) ALDH1A1RAB9APOLBUSP2HPGD
SCHEMBL2644083 0.75 MEN1 (0.38) ALDH1A1RAB9APOLBMEN1KMT2A
SCHEMBL736037 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395301-A New bicyclic thiophenylamide compounds HOFFMANN LA ROCHE 2015-03-04 CN disclosed
EP-1527070-B1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS MERCK SERONO SA (CH) 2013-01-09 EP disclosed
EP-1527070-B1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS MERCK SERONO SA (CH) 2013-01-09 EP disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 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-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators PRKACA, CSNK1A1, PRKACG ALDH1A1 3474/4885RAB9A 3831/4885POLB 3560/4885

“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.