SCHEMBL10127282

SCHEMBL10127282

CCc1nc(C(N)=O)c(Nc2ccccc2SC)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
PLK1 P53350 1/20 0.42
CCNA1 P78396 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
SMN1; SMN2 Q16637 8/20 0.40
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 5/20 0.40
HPGD P15428 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 4/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL10126675 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL10127293 0.82 ALK (0.44) CCNA2CDK2PLK1CCNA1SMN1; SMN2
SCHEMBL283365 0.79 EML4 (0.42) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL10157039 0.78 PTK2 (0.44) SMN1; SMN2L3MBTL1SYK
SCHEMBL328224 0.78 EML4 (0.41) MAPTSYK
SCHEMBL10156685 0.78 PTK2 (0.43) SMN1; SMN2MAPTKDM4ESYK
SCHEMBL10127286 0.76 MAPT (0.45) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL10126703 0.75 PLAU (0.50) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL10127274 0.75 MAPKAPK2 (0.43) SMN1; SMN2ALDH1A1RAB9AHPGDMAPK1
SCHEMBL10127324 0.74 EML4 (0.39) MEN1KMT2ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CCNA2 3352/4885CDK2 445/4885PLK1 1966/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CCNA2 3352/4885CDK2 445/4885PLK1 1966/4885

“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.