SCHEMBL328277

SCHEMBL328277

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.43
JAK2 O60674 6/20 0.41
JAK1 P23458 5/20 0.41
GRM5 P41594 2/20 0.41
F10 P00742 1/20 0.41
PTK6 Q13882 1/20 0.40
BTK Q06187 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL10126505 0.93 PTK6 (0.45) CNR2CNR1GRM5PTK6HPGD
SCHEMBL10126599 0.93 CNR2 (0.43) CNR2CNR1GRM5PTK6BTK
SCHEMBL16305321 0.90 HPGD (0.50) CNR2CNR1GRM5PTK6MEN1
SCHEMBL10126552 0.90 IRAK4 (0.42) CNR2CNR1GRM5PTK6LMNA
SCHEMBL10156673 0.89 PTK6 (0.39) CNR2CNR1GRM5F10PTK6
SCHEMBL10127101 0.85 CAMK1D (0.47) CNR2CNR1KMT2ATSHR
SCHEMBL10126449 0.84 HPGD (0.42) CNR2GRM5BTKMEN1KMT2A
SCHEMBL17340276 0.83 CNR2 (0.39) CNR2CNR1GRM5BTKMEN1
SCHEMBL10126589 0.83 PPARG (0.41) JAK2JAK1MEN1KMT2ALMNA
SCHEMBL10126528 0.82 MAPT (0.43) CNR2CNR1JAK2JAK1LMNA

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-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
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 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.