SCHEMBL10127016

SCHEMBL10127016

CSc1nc(Cl)c(C(N)=O)c(Nc2cc(C)ccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALK Q9UM73 13/20 0.38
MET P08581 6/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
INSR P06213 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
PPARG P37231 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
CA13 Q8N1Q1 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
SCHEMBL10127018 0.92 MAPT (0.38) MAPTALKMETGAAHPGD
SCHEMBL10127011 0.87 ALK (0.46) ALKMETINSRHDAC1
SCHEMBL10127020 0.80 MEN1 (0.35) MAPTALKMETGAAHPGD
SCHEMBL10127073 0.77 CA1 (0.42) MAPTALKMETINSRCA1
SCHEMBL10126496 0.76 CA1 (0.39) MAPTGAAHPGDCA1CA2
SCHEMBL10126533 0.76 CA1 (0.44) MAPTGAAHPGDCA1CA2
SCHEMBL17069444 0.75 LMNA (0.47) MAPTPPARG
SCHEMBL10126504 0.74 TNNI3K (0.46) MAPTGAAHPGDCA1CA2
SCHEMBL328295 0.73 CA1 (0.44) MAPTCA1CA2CA7PPARG
SCHEMBL10126444 0.73 MAPK3 (0.43) MAPTGAAHPGDCA1CA2

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 MAPT 3116/4885ALK 2/4885MET 173/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885ALK 2/4885MET 173/4885

“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.