SCHEMBL328289

SCHEMBL328289

CCc1nc(C(N)=O)c(Nc2ccc(CN3CCN(C)CC3)cc2C)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 6/20 0.44
TBK1 Q9UHD2 6/20 0.44
EML4 Q9HC35 8/20 0.42
ALK Q9UM73 8/20 0.42
CCR5 P51681 1/20 0.42
TNIK Q9UKE5 2/20 0.41
ENPP2 Q13822 2/20 0.41
RET P07949 2/20 0.40
ROS1 P08922 2/20 0.40
FLT3 P36888 2/20 0.40

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
SCHEMBL10156528 0.91 EML4 (0.44) IKBKETBK1EML4ALKCCR5
SCHEMBL17689742 0.90 PARP1 (0.40) IKBKETBK1EML4ALKFLT3
SCHEMBL10126816 0.86 IKBKE (0.55) IKBKETBK1EML4ALKTNIK
SCHEMBL16206813 0.85 EML4 (0.51) EML4ALKRETROS1FLT3
SCHEMBL10129612 0.83 EML4 (0.65) EML4ALKRETROS1FLT3
SCHEMBL17690612 0.80 EML4 (0.47) EML4ALKRETROS1FLT3
SCHEMBL10126837 0.80 EML4 (0.52) EML4ALKRETROS1FLT3
SCHEMBL16206810 0.79 EML4 (0.62) EML4ALKRETROS1FLT3
SCHEMBL328221 0.79 EML4 (0.50) IKBKETBK1EML4ALKRET
SCHEMBL17689760 0.78 EML4 (0.51) EML4ALKRETROS1FLT3

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 9 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-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
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

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 IKBKE 529/4885TBK1 1469/4885EML4 1/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 IKBKE 529/4885TBK1 1469/4885EML4 1/4885

“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.