SCHEMBL10126599

SCHEMBL10126599

CSc1nc(Cl)c(C(N)=O)c(Nc2ccc(C)c(C(=O)N3CCCCC3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.43
GRM5 P41594 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PTK6 Q13882 1/20 0.38
HTT P42858 2/20 0.38
BTK Q06187 1/20 0.38
SCN9A Q15858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL328277 0.93 CNR2 (0.43) CNR2CNR1GRM5HPGDLMNA
SCHEMBL10126552 0.91 IRAK4 (0.42) CNR2CNR1GRM5KDM4EALDH1A1
SCHEMBL10126505 0.91 PTK6 (0.45) CNR2CNR1GRM5HPGDPTK6
SCHEMBL17340276 0.90 CNR2 (0.39) CNR2CNR1GRM5KDM4EALDH1A1
SCHEMBL16305321 0.87 HPGD (0.50) CNR2CNR1GRM5KDM4EALDH1A1
SCHEMBL10156673 0.87 PTK6 (0.39) CNR2CNR1GRM5NPSR1SMN1; SMN2
SCHEMBL10127101 0.84 CAMK1D (0.47) CNR2CNR1
SCHEMBL10126449 0.83 HPGD (0.42) CNR2GRM5HPGDBTKMAPT
SCHEMBL10156670 0.82 PPARG (0.41) ALDH1A1SMN1; SMN2BTKSCN9AMAPT
SCHEMBL10126557 0.82 EPHX2 (0.44) CNR2CNR1SMN1; SMN2BTKMAPT

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 1904/4885GRM5 1237/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CNR2 1453/4885CNR1 1904/4885GRM5 1237/4885

“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.