SCHEMBL10127103

SCHEMBL10127103

CSc1nc(Cl)c(C(N)=O)c(Nc2cc(C(N)=O)cc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.44
ATF1 P18846 1/20 0.44
TRPV1 Q8NER1 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
AURKA O14965 2/20 0.37
SYK P43405 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CAMK1D Q8IU85 2/20 0.36
PPARG P37231 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ZAP70 P43403 1/20 0.34
EPHB2 P29323 1/20 0.34
DDR1 Q08345 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
SCHEMBL10127040 0.80 TP53 (0.46) SYKPPARGEPHB2
SCHEMBL10127090 0.79 CA1 (0.48) CA1CA2CA7AURKACA13
SCHEMBL10156735 0.79 CA1 (0.44) TRPV1CA1CA2CA7CA13
SCHEMBL10127228 0.79 KIT (0.39) TRPV1CA1CA2CA7SYK
SCHEMBL10127122 0.78 ATF1 (0.39) NFKB1ATF1TRPV1AURKASYK
SCHEMBL10126692 0.77 PPARG (0.47) CA1CA2CA7CA13PPARG
SCHEMBL10127045 0.76 MAPT (0.45) CA1CA2CA7PPARGPOLB
SCHEMBL10156701 0.76 CA1 (0.41) TRPV1CA1CA2CA7AURKA
SCHEMBL10156539 0.75 PTK2 (0.40) TRPV1CA1CA2CA7PPARG
SCHEMBL16305326 0.74 CSNK2A1 (0.44) PPARG

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 8 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
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 NFKB1 3341/4885ATF1 2265/4885TRPV1 2400/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NFKB1 3341/4885ATF1 2265/4885TRPV1 2400/4885

“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.