SCHEMBL10156534

SCHEMBL10156534

CCN(CC)C(=O)c1ccc(C)c(Nc2nc(SC)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CHEK2 O96017 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LCK P06239 1/20 0.34
TSHR P16473 1/20 0.33
MAPK3 P27361 1/20 0.33
TP53 P04637 1/20 0.33
BLM P54132 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10126439 0.86 MEN1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10156444 0.84 MAPK14 (0.42)
SCHEMBL10156526 0.82 HPGD (0.42) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10126464 0.81 ALDH1A1 (0.47) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16305343 0.81 HPGD (0.40) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10126447 0.80 HPGD (0.41) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10157244 0.79 SYK (0.56) MAPK3
SCHEMBL10126433 0.78 HPGD (0.43) HPGDKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10156204 0.78 HPGD (0.37) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10126500 0.77 TNNI3K (0.47) MEN1KMT2ALMNAALDH1A1TP53

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 HPGD 4520/4885MEN1 724/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885MEN1 724/4885KMT2A 103/4885

“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.