SCHEMBL328440

SCHEMBL328440

CCc1nc(C(N)=O)c(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 3/20 0.54
ALK Q9UM73 3/20 0.54
JAK3 P52333 12/20 0.53
LCK P06239 9/20 0.53
BTK Q06187 8/20 0.48
EGFR P00533 3/20 0.48
NAMPT P43490 1/20 0.48
IGF1R P08069 1/20 0.46
JAK1 P23458 2/20 0.45
JAK2 O60674 3/20 0.45
PTK2 Q05397 3/20 0.45
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL10126828 0.88 EML4 (0.47) EML4ALKJAK3LCKBTK
SCHEMBL328321 0.86 EML4 (0.49) EML4ALKJAK3LCKBTK
SCHEMBL10129261 0.86 ALK (0.76) EML4ALKRETROS1FLT3
SCHEMBL10126791 0.86 EML4 (0.53) EML4ALKJAK3EGFRNAMPT
SCHEMBL10156752 0.85 ALK (0.50) EML4ALKJAK3LCKBTK
SCHEMBL328228 0.85 EML4 (0.72) EML4ALKJAK3LCKEGFR
SCHEMBL30416480 0.82 JAK3 (0.52) EML4ALKJAK3LCKBTK
SCHEMBL16763885 0.82 JAK3 (0.52) EML4ALKJAK3LCKBTK
SCHEMBL10156154 0.82 NAMPT (0.49) JAK3LCKBTKNAMPTIGF1R
SCHEMBL16195969 0.82 JAK3 (0.60) JAK3LCKBTKEGFRJAK1

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 10 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-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 EML4 1/4885ALK 2/4885JAK3 2651/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885JAK3 2651/4885

“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.