SCHEMBL10128613

SCHEMBL10128613

NC(=O)c1c(Nc2cnccc2-c2ccccc2)nc(NCC2(N)CCCCC2)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.34
GSK3A P49840 5/20 0.34
CNR2 P34972 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HASPIN Q8TF76 2/20 0.33
CDK19 Q9BWU1 2/20 0.33
GLA P06280 2/20 0.32
IRAK1 P51617 1/20 0.32
SYK P43405 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
CDC7 O00311 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL10128509 0.84 KDM4E (0.32) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL10128922 0.83 SYK (0.42) CNR2KDM4EALDH1A1HPGDMAPT
SCHEMBL10128643 0.83 BCDIN3D (0.42) ALDH1A1SYKBCDIN3D
SCHEMBL10128425 0.81 SYK (0.37) SYKBCDIN3D
SCHEMBL10128576 0.79 KMT2A (0.36) KDM4EALDH1A1HPGDMAPTSYK
SCHEMBL10128304 0.78 SYK (0.40) SYKBCDIN3DMEN1KMT2A
SCHEMBL10128146 0.77 ALK (0.39)
SCHEMBL10128205 0.77 ALK (0.39)
SCHEMBL10128422 0.76 RAB9A (0.40) CNR2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL10128266 0.76 SYK (0.40) CDK19SYKBCDIN3D

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 GSK3B 2337/4885GSK3A 2135/4885CNR2 1453/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GSK3B 2337/4885GSK3A 2135/4885CNR2 1453/4885

“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.