SCHEMBL10156583

SCHEMBL10156583

CSc1nc(Nc2cccc(S(=O)(=O)N(C)C)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 2/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL10127066 0.89 ALPL (0.44) TNNI3KKDM4ERXFP1GFERMEN1
SCHEMBL282919 0.89 EML4 (0.45) TNNI3KRXFP1GFERMEN1KMT2A
SCHEMBL16305333 0.87 TNNI3K (0.49) TNNI3K
SCHEMBL10127083 0.87 TNNI3K (0.43) TNNI3KRXFP1GFERMEN1KMT2A
SCHEMBL10127085 0.86 GFER (0.41) TNNI3KKDM4ERXFP1GFERMAPT
SCHEMBL13071118 0.85 RXFP1 (0.41) TNNI3KRXFP1GFER
SCHEMBL10127056 0.82 GFER (0.47) RXFP1GFER
SCHEMBL10157179 0.82 GFER (0.43) RXFP1GFER
SCHEMBL10127047 0.81 GFER (0.45) SMN1; SMN2ALDH1A1RXFP1GFERMEN1
SCHEMBL10156677 0.79 CCNB2 (0.45) TNNI3KSMN1; SMN2HTTALDH1A1LMNA

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 6 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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP 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
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 WO 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 TNNI3K 1317/4885SMN1; SMN2 4467/4885HTT 3739/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 TNNI3K 1317/4885SMN1; SMN2 4467/4885HTT 3739/4885

“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.