SCHEMBL10128656

SCHEMBL10128656

NC(=O)c1c(Nc2cc(Cl)ccn2)nc(NCC2(N)CCCCC2)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.35
KCNH2 Q12809 1/20 0.32
IDH1 O75874 2/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
P2RX7 Q99572 1/20 0.31
GSK3A P49840 1/20 0.31
MAPK10 P53779 1/20 0.31
RIOK2 Q9BVS4 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM4 Q14833 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL10128653 0.88 SYK (0.39) SYKKCNH2BCDIN3DP2RX7MAPK10
SCHEMBL10128519 0.84 SYK (0.39) SYKKCNH2BCDIN3DP2RX7
SCHEMBL10128576 0.83 KMT2A (0.36) SYKMAPTGRM4
SCHEMBL10128607 0.83 SYK (0.35) SYKKCNH2P2RX7
SCHEMBL10128332 0.82 SYK (0.39) SYKKCNH2BCDIN3DP2RX7
SCHEMBL10128304 0.81 SYK (0.40) SYKBCDIN3D
SCHEMBL10128266 0.80 SYK (0.40) SYKBCDIN3D
SCHEMBL10128922 0.80 SYK (0.42) SYKKCNH2BCDIN3DMAPTNPSR1
SCHEMBL10128419 0.79 SYK (0.39) SYKBCDIN3DP2RX7GRM4
SCHEMBL10128643 0.79 BCDIN3D (0.42) SYKBCDIN3D

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 2200/4885KCNH2 2712/4885IDH1 147/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885KCNH2 2712/4885IDH1 147/4885

“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.