SCHEMBL5094079

SCHEMBL5094079

CCc1csc(CC#N)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
HBB P68871 1/20 0.45
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC6A3 Q01959 2/20 0.35
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GAA P10253 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
SCHEMBL16810688 0.85 SLC6A3 (0.41) RAB9AALDH1A1POLBUSP2HPGD
SCHEMBL19031436 0.81 RAB9A (0.43) RAB9AALDH1A1POLBUSP2HPGD
SCHEMBL2256127 0.79
Ammonia Solution, Strong SCHEMBL27615021 0.77 SLC6A3 (0.46) RAB9AALDH1A1POLBNPC1SLC6A3
Hydrochloric Acid SCHEMBL10988638 0.77 SLC6A3 (0.46) RAB9AALDH1A1POLBMAPTNPC1
SCHEMBL736037 0.76
SCHEMBL16373704 0.74 SLC6A3 (0.36) RAB9AALDH1A1POLBHPGDMAPT
SCHEMBL14920499 0.74
SCHEMBL25226302 0.74
SCHEMBL11926805 0.74 SLC6A3 (0.49) RAB9APOLBNPC1SLC6A3HDAC1

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
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
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 RAB9A 3831/4885ALDH1A1 3474/4885POLB 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.