SCHEMBL16611426

SCHEMBL16611426

COc1ncc(C#N)c2c1c(Nc1cccc(C(N)=O)c1)cn2C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
ERBB2 P04626 3/20 0.48
CDK2 P24941 1/20 0.41
NEK2 P51955 1/20 0.41
AURKA O14965 1/20 0.39
FER P16591 5/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
ERBB3 P21860 1/20 0.37
TEK Q02763 1/20 0.37
ERBB4 Q15303 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
ALK Q9UM73 1/20 0.37
SYK P43405 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL16611124 0.93 EGFR (0.40) EGFRERBB2CDK2AURKAPIK3CD
SCHEMBL16610713 0.93 AURKA (0.47) EGFRERBB2CDK2AURKAPIK3CD
SCHEMBL16611439 0.80 NEK2 (0.38) EGFRERBB2CDK2NEK2AURKA
SCHEMBL16610711 0.76 EGFR (0.42) EGFRERBB2PIK3CDPIK3CAPRKDC
SCHEMBL16611418 0.72 RORC (0.35) EGFRERBB2CDK2NEK2IRAK4
SCHEMBL16611713 0.71 SRC (0.39) EGFRCDK2TEK
SCHEMBL16611226 0.71 SRC (0.44) EGFRTEKMTOR
SCHEMBL16611095 0.71 SQOR (0.36) EGFRPIK3CDTEKROCK2
SCHEMBL16611505 0.71 SRC (0.39) EGFRTEKALKSYK
SCHEMBL16611350 0.71 SRC (0.42) EGFRTEKMTOR

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 EGFR 4532/4885ERBB2 4042/4885CDK2 302/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885ERBB2 4042/4885CDK2 302/4885

“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.