SCHEMBL10126601

SCHEMBL10126601

CSc1nc(Nc2ccc(C)c(C(=O)N3CCCCC3)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CNR1 P21554 1/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.37
HTT P42858 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
PTK6 Q13882 1/20 0.36
POLB P06746 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL10126584 0.93 JAK2 (0.45) CNR2CNR1JAK2JAK1SYK
SCHEMBL10126548 0.90 IRAK4 (0.40) CNR2CNR1ALDH1A1HPGDNPSR1
SCHEMBL10126499 0.88 PTK6 (0.45) CNR2CNR1HPGDSYKPTK6
SCHEMBL16305320 0.87 HPGD (0.49) ALDH1A1HPGDNPSR1KDM4ELMNA
SCHEMBL10156470 0.86 PTK6 (0.40) CNR2CNR1JAK2JAK1ALDH1A1
SCHEMBL10157673 0.84 CNR2 (0.40) CNR2CNR1JAK2JAK1ALDH1A1
SCHEMBL10126447 0.84 HPGD (0.41) CNR2ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL10127123 0.83 CAMK1D (0.46) ALDH1A1HPGDHTT
SCHEMBL10156468 0.83 XDH (0.39) JAK2LMNASYKHTTPOLB
SCHEMBL10126599 0.81 CNR2 (0.43) CNR2CNR1ALDH1A1HPGDNPSR1

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 7 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

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 CNR2 1453/4885CNR1 1904/4885JAK2 1536/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CNR2 1453/4885CNR1 1904/4885JAK2 1536/4885

“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.