SCHEMBL16610877

SCHEMBL16610877

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.46
EGFR P00533 9/20 0.46
ABL1 P00519 8/20 0.46
ABL2 P42684 8/20 0.46
RIPK2 O43353 3/20 0.38
LCK P06239 4/20 0.37
KDR P35968 4/20 0.37
TEK Q02763 3/20 0.37
RET P07949 6/20 0.35
LYN P07948 2/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
INSR P06213 1/20 0.35
NPM1 P06748 1/20 0.35
CSF1R P07333 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL16611226 0.90 SRC (0.44) SRCEGFRABL1ABL2RIPK2
SCHEMBL16611505 0.87 SRC (0.39) SRCEGFRABL1ABL2LCK
SCHEMBL16610732 0.86 SRC (0.39) SRCEGFRABL1ABL2RIPK2
SCHEMBL16611241 0.86 SRC (0.43) SRCEGFRABL1ABL2RIPK2
SCHEMBL16611713 0.85 SRC (0.39) SRCEGFRABL1ABL2RIPK2
SCHEMBL16611724 0.84 RET (0.40) RET
SCHEMBL16611350 0.84 SRC (0.42) SRCEGFRABL1ABL2RIPK2
SCHEMBL16610728 0.84 ROCK2 (0.35) SRCEGFRABL1ABL2
SCHEMBL16611632 0.84 LRRK2 (0.38) SRCEGFRABL1ABL2RET
SCHEMBL16611022 0.83 LRRK2 (0.38) SRCEGFRABL1ABL2RET

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 1557/4885EGFR 4532/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SRC 1557/4885EGFR 4532/4885ABL1 1046/4885

“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.