SCHEMBL10156539

SCHEMBL10156539

CNC(=O)c1ccc(Nc2nc(SC)nc(Cl)c2C(N)=O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.40
TRPV1 Q8NER1 1/20 0.39
PPARG P37231 1/20 0.38
ULK1 O75385 1/20 0.38
HDAC3 O15379 1/20 0.37
RAF1 P04049 1/20 0.37
ARAF P10398 1/20 0.37
BRAF P15056 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL10126589 0.87 PPARG (0.41) PTK2PPARGBRAFHDAC1LMNA
SCHEMBL10126479 0.87 PPARG (0.41) PTK2PPARGULK1POLBCA1
SCHEMBL10157057 0.85 SCN9A (0.43) PPARGCA1CA2CA7
SCHEMBL10157036 0.85 PPARG (0.41) PPARGCA1CA2CA7
SCHEMBL10156670 0.85 PPARG (0.41) PPARGPOLBCA1CA2CA7
SCHEMBL10156673 0.84 PTK6 (0.39) TRPV1LRRK2KITFLT3
SCHEMBL10157064 0.83 LRRK2 (0.41) PTK2PPARGLRRK2POLBMAPK9
SCHEMBL10127228 0.81 KIT (0.39) PTK2TRPV1PPARGKITFLT3
SCHEMBL10155939 0.80 XDH (0.39) PTK2ULK1LMNAPOLBMAPK9
SCHEMBL16305326 0.79 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 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 PTK2 1402/4885TRPV1 2400/4885PPARG 2536/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PTK2 1402/4885TRPV1 2400/4885PPARG 2536/4885

“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.