SCHEMBL10128653

SCHEMBL10128653

NC(=O)c1c(Nc2ccnc(Cl)c2)nc(NCC2(N)CCCCC2)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
KCNH2 Q12809 1/20 0.32
GRM4 Q14833 1/20 0.31
HTR7 P34969 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SMARCA2 P51531 2/20 0.31
SMARCA4 P51532 2/20 0.31
BCDIN3D Q7Z5W3 3/20 0.30
P2RX7 Q99572 1/20 0.30
IRAK1 P51617 1/20 0.30
PIK3CA P42336 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL10128656 0.88 SYK (0.35) SYKKCNH2GRM4BCDIN3DP2RX7
SCHEMBL10128519 0.86 SYK (0.39) SYKJAK2JAK1KCNH2BCDIN3D
SCHEMBL10128266 0.84 SYK (0.40) SYKHTR7BCDIN3D
SCHEMBL10128304 0.84 SYK (0.40) SYKBCDIN3D
SCHEMBL10128419 0.83 SYK (0.39) SYKGRM4BCDIN3DP2RX7
SCHEMBL10128332 0.83 SYK (0.39) SYKJAK2JAK1KCNH2BCDIN3D
SCHEMBL10128922 0.83 SYK (0.42) SYKJAK2JAK1KCNH2BCDIN3D
SCHEMBL10128576 0.82 KMT2A (0.36) SYKGRM4MAPK8
SCHEMBL10128414 0.82 SYK (0.38) SYKKCNH2BCDIN3DP2RX7
SCHEMBL10128490 0.82 SYK (0.38) SYKJAK2JAK1GRM4BCDIN3D

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 2200/4885JAK2 1536/4885JAK1 2743/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885JAK2 1536/4885JAK1 2743/4885

“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.