SCHEMBL10127286

SCHEMBL10127286

CCc1nc(C(N)=O)c(Nc2ccc(C)cc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
AHR P35869 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EML4 Q9HC35 8/20 0.44
ALK Q9UM73 8/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RET P07949 4/20 0.43
ROS1 P08922 4/20 0.43
FLT3 P36888 4/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
F9 P00740 1/20 0.42
CRHR1 P34998 1/20 0.41
KDR P35968 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 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
SCHEMBL283365 0.87 EML4 (0.42) MAPTNPC1RAB9AEML4ALK
SCHEMBL282474 0.85 JAK3 (0.49) EML4ALKRETROS1FLT3
SCHEMBL10127177 0.85 FLT4 (0.42) EML4ALKMEN1KMT2ARET
SCHEMBL27848385 0.84 MEN1 (0.45) EML4ALKMEN1KMT2ARET
SCHEMBL10126886 0.83 MAPT (0.47) MAPTSMN1; SMN2EML4ALKRET
SCHEMBL10127324 0.83 EML4 (0.39) EML4ALKMEN1KMT2ARET
SCHEMBL10127291 0.83 SYK (0.41) EML4ALKMEN1KMT2ARET
SCHEMBL10127449 0.81 RET (0.55) EML4ALKRETROS1FLT3
SCHEMBL328224 0.81 EML4 (0.41) MAPTEML4ALKRETROS1
SCHEMBL10126777 0.81 EML4 (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 4 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-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-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 MAPT 3116/4885NPC1 3728/4885AHR 1224/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885NPC1 3728/4885AHR 1224/4885

“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.