SCHEMBL16611403

SCHEMBL16611403

COc1ncc(C#N)c2c1c(-c1csc(CC#N)c1)cn2C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
SRC P12931 5/20 0.32
ABL1 P00519 3/20 0.32
EGFR P00533 3/20 0.32
ABL2 P42684 3/20 0.32
RET P07949 1/20 0.31
RIPK2 O43353 1/20 0.31
NUAK1 O60285 1/20 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
SCHEMBL16611418 0.82 RORC (0.35) RORCSRCABL1EGFRABL2
SCHEMBL16611574 0.82 RORC (0.36) RORCSRCABL1EGFRABL2
SCHEMBL16611165 0.82 ABL1 (0.41) SRCABL1EGFRABL2RET
SCHEMBL16611226 0.80 SRC (0.44) SRCABL1EGFRABL2RIPK2
SCHEMBL16611724 0.79 RET (0.40) RET
SCHEMBL16611003 0.79 PIK3CG (0.36) SRCABL1EGFRABL2RET
SCHEMBL16611241 0.79 SRC (0.43) SRCABL1EGFRABL2RET
SCHEMBL16610877 0.78 SRC (0.46) SRCABL1EGFRABL2RET
SCHEMBL16610728 0.78 ROCK2 (0.35) SRCABL1EGFRABL2
SCHEMBL16611632 0.78 LRRK2 (0.38) SRCABL1EGFRABL2RET

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 RORC 538/4885SRC 1557/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885SRC 1557/4885ABL1 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.