SCHEMBL282242

SCHEMBL282242

CC(C)c1nc(C(N)=O)c(Cl)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
SYK P43405 6/20 0.34
KCNH2 Q12809 4/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.31
MAP2K3 P46734 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDPK1 O15530 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
RET P07949 2/20 0.30
ROS1 P08922 2/20 0.30
FLT3 P36888 2/20 0.30
EML4 Q9HC35 2/20 0.30
ALK Q9UM73 2/20 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
SCHEMBL28083263 0.77 TDP1 (0.40) SYKPOLBLMNAMAP2K3PDPK1
SCHEMBL25809135 0.74 POLB (0.41) SYKPOLBLMNAMAP2K3PDPK1
SCHEMBL25562756 0.71 PLAU (0.37) KCNH2POLBLMNAMAP2K3PDPK1
SCHEMBL29452887 0.71 POLB (0.35) POLBLMNAPDPK1ADORA2A
SCHEMBL12413919 0.69 NPSR1 (0.45) LMNAADORA2A
SCHEMBL6017198 0.69 PDPK1 (0.45) KCNH2POLBLMNAMAP2K3PDPK1
SCHEMBL16196486 0.64 SYK (0.32) SYKPOLBLMNA
SCHEMBL29452970 0.64 SYK (0.32) SYKPOLBLMNA
SCHEMBL27439434 0.64 MEN1 (0.37) MAPK1
SCHEMBL27452654 0.64 MEN1 (0.40) MAPK1SYKKCNH2

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 13 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
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP 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
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP 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 MAPK1 1174/4885SYK 2200/4885KCNH2 2712/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPK1 1174/4885SYK 2200/4885KCNH2 2712/4885

“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.