SCHEMBL10126518

SCHEMBL10126518

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 3/20 0.36
MAPK7 Q13164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SYK P43405 3/20 0.35
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL10126479 0.89 PPARG (0.41) CA1CA2CA7MEN1KMT2A
SCHEMBL10126491 0.86 CA1 (0.41) CA1CA2CA7MEN1KMT2A
SCHEMBL10126505 0.82 PTK6 (0.45) HPGDPOLB
SCHEMBL10126510 0.82 P2RX3 (0.42) P2RX3MEN1KMT2AGAAALDH1A1
SCHEMBL10157650 0.81 MEN1 (0.39) CA1CA2CA7MEN1KMT2A
SCHEMBL10157036 0.81 PPARG (0.41) CA1CA2CA7MEN1KMT2A
SCHEMBL10126589 0.81 PPARG (0.41) CA1CA2CA7MEN1KMT2A
SCHEMBL16541457 0.80 MEN1 (0.39) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL10157064 0.79 LRRK2 (0.41) KMT2APPARGMAPTGAAHPGD
SCHEMBL328295 0.78 CA1 (0.44) CA1CA2CA7MEN1KMT2A

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 4 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-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 P2RX3 1856/4885CA1 2814/4885CA2 1945/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 P2RX3 1856/4885CA1 2814/4885CA2 1945/4885

“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.