SCHEMBL16611713

SCHEMBL16611713

COc1ncc(C#N)c2c1c(-c1ccc(CC(N)=O)cc1)cn2C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.39
ABL1 P00519 3/20 0.39
EGFR P00533 3/20 0.39
ABL2 P42684 3/20 0.39
RET P07949 5/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
RIPK2 O43353 4/20 0.35
BTK Q06187 1/20 0.35
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HCK P08631 1/20 0.34

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
SCHEMBL16611350 0.89 SRC (0.42) SRCABL1EGFRABL2RET
SCHEMBL16610877 0.85 SRC (0.46) SRCABL1EGFRABL2RET
SCHEMBL16610920 0.83 ABL1 (0.35) SRCABL1EGFRABL2RET
SCHEMBL16611226 0.83 SRC (0.44) SRCABL1EGFRABL2LCK
SCHEMBL16611241 0.82 SRC (0.43) SRCABL1EGFRABL2RET
SCHEMBL16611505 0.81 SRC (0.39) SRCABL1EGFRABL2RET
SCHEMBL16610732 0.80 SRC (0.39) SRCABL1EGFRABL2RET
SCHEMBL16611418 0.80 RORC (0.35) SRCABL1EGFRABL2RET
SCHEMBL16610623 0.79 BTK (0.38) SRCABL1EGFRABL2BTK
SCHEMBL16611724 0.78 RET (0.40) RET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SRC 1557/4885ABL1 1046/4885EGFR 4532/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SRC 1557/4885ABL1 1046/4885EGFR 4532/4885

“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.