SCHEMBL10126439

SCHEMBL10126439

CSc1nc(Nc2cc(C(C)=O)ccc2C)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK3 P27361 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
BLM P54132 1/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
XDH P47989 4/20 0.36
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPK14 Q16539 2/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL10156444 0.90 MAPK14 (0.42) MAPK14
SCHEMBL10156534 0.86 HPGD (0.39) MEN1KMT2ASMN1; SMN2MAPK3ALDH1A1
SCHEMBL10126447 0.85 HPGD (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1BLM
SCHEMBL10126433 0.83 HPGD (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL10127047 0.82 GFER (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1TP53
SCHEMBL10126500 0.82 TNNI3K (0.47) MEN1KMT2AALDH1A1TP53BLM
SCHEMBL10126495 0.79 TNNI3K (0.37) MEN1KMT2AALDH1A1TP53BLM
SCHEMBL10126464 0.79 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10127107 0.78 PDE4B (0.43) MEN1KMT2AXDHGAA
SCHEMBL10126444 0.78 MAPK3 (0.43) MEN1KMT2ASMN1; SMN2MAPK3ALDH1A1

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 MEN1 724/4885KMT2A 103/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MEN1 724/4885KMT2A 103/4885SMN1; SMN2 4467/4885

“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.