SCHEMBL10158130

SCHEMBL10158130

CCN(CC)S(=O)(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCCC[C@@H]3N)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.55
KCNH2 Q12809 4/20 0.42
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10128405 0.89 SYK (0.59) SYKKCNH2
SCHEMBL16303169 0.86 SYK (0.56) SYKKCNH2
SCHEMBL10128413 0.85 SYK (0.55) SYKKCNH2KMT2AHTTALDH1A1
SCHEMBL10157244 0.84 SYK (0.56) SYKKCNH2
SCHEMBL10128376 0.82 SYK (0.61) SYKKCNH2
SCHEMBL10157416 0.81 KMT2A (0.46) KMT2AHTTNPSR1ALDH1A1BRD4
SCHEMBL10156230 0.80 SYK (0.59) SYKKCNH2
SCHEMBL10158132 0.79 SYK (0.63) SYK
SCHEMBL10126464 0.79 ALDH1A1 (0.47) KMT2AHTTALDH1A1BRD4BRPF1
SCHEMBL16303165 0.79 SYK (0.60) SYKKCNH2

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
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-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 SYK 2200/4885KCNH2 2712/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885KCNH2 2712/4885KMT2A 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.