SCHEMBL10126740

SCHEMBL10126740

CCc1nc(C(N)=O)c(Nc2ccc3nsnc3c2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.46
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
EML4 Q9HC35 6/20 0.40
ALK Q9UM73 6/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL10126738 0.82 RAB9A (0.49) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL10126743 0.82 MAPT (0.45) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL10126739 0.82 P2RX3 (0.49)
SCHEMBL10126696 0.82 SYK (0.50) SYKMEN1KMT2ANPC1RAB9A
SCHEMBL10127321 0.81 SYK (0.54) SYKMEN1MAPTKMT2AALDH1A1
SCHEMBL10127336 0.81 SYK (0.45) SYKMEN1MAPTKMT2AEML4
SCHEMBL10127286 0.80 MAPT (0.45) SYKMEN1MAPTKMT2AEML4
SCHEMBL10157692 0.80 EML4 (0.41) SYKEML4ALKAXLETV6
SCHEMBL328188 0.79 SYK (0.49) SYKKDM4EMEN1KMT2AEML4
SCHEMBL10129207 0.79 ALK (0.67) EML4ALKRETROS1FLT3

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 8 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
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

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 SYK 2200/4885KDM4E 39/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885KDM4E 39/4885MEN1 724/4885

“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.