SCHEMBL10126499

SCHEMBL10126499

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 12/20 0.45
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
LCK P06239 3/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39
SYK P43405 1/20 0.39
GRM5 P41594 1/20 0.38
XDH P47989 1/20 0.38
AURKB Q96GD4 2/20 0.38

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 0.90 JAK2 (0.45) PTK6CNR2CNR1SYK
SCHEMBL10126601 0.88 CNR2 (0.40) PTK6HPGDPOLBCNR2CNR1
SCHEMBL16305320 0.88 HPGD (0.49) PTK6HPGDSYKGRM5AURKB
SCHEMBL10126548 0.88 IRAK4 (0.40) HPGDPOLBCNR2CNR1SYK
SCHEMBL10156470 0.87 PTK6 (0.40) PTK6HPGDLCKCNR2CNR1
SCHEMBL10126487 0.85 XDH (0.44) SYKXDH
SCHEMBL10126474 0.83 XDH (0.43) SYKXDH
SCHEMBL10127123 0.83 CAMK1D (0.46) HPGD
SCHEMBL10126505 0.83 PTK6 (0.45) PTK6HPGDPOLBLCKCNR2
SCHEMBL10126510 0.83 P2RX3 (0.42) SYKXDH

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 11 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-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP 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 PTK6 767/4885HPGD 4520/4885POLB 4590/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PTK6 767/4885HPGD 4520/4885POLB 4590/4885

“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.