SCHEMBL10128560

SCHEMBL10128560

NC(=O)c1c(Nc2ccc(F)c(C(=O)N3CCCCC3)c2)nc(N[C@H]2CCCC[C@@H]2N)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.59
ZAP70 P43403 1/20 0.44
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
HCK P08631 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
MARK3 P27448 1/20 0.42
LTK P29376 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
MAPK10 P53779 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MAP3K10 Q02779 1/20 0.42
PRKCQ Q04759 1/20 0.42
PTK2 Q05397 1/20 0.42
TYRO3 Q06418 1/20 0.42

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
SCHEMBL10128566 0.94 SYK (0.56) SYKALK
SCHEMBL10128685 0.90 SYK (0.61) SYKZAP70
SCHEMBL10128540 0.89 SYK (0.61) SYKZAP70JAK2ROCK2MAP4K4
SCHEMBL10128677 0.89 SYK (0.61) SYKJAK2
SCHEMBL10128571 0.88 SYK (0.65) SYKZAP70JAK2ROCK2MAP4K4
SCHEMBL10156817 0.87 SYK (0.63) SYKZAP70JAK2ROCK2MAP4K4
SCHEMBL16305355 0.86 SYK (0.66) SYKZAP70
SCHEMBL16303173 0.85 SYK (0.64) SYKZAP70JAK2ROCK2MAP4K4
SCHEMBL10156798 0.84 SYK (0.60) SYKJAK2ROCK2MAP4K4HCK
SCHEMBL10126548 0.80 IRAK4 (0.40) SYK

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 8 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-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
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 2200/4885ZAP70 2470/4885JAK2 1536/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885ZAP70 2470/4885JAK2 1536/4885

“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.