SCHEMBL16612072

SCHEMBL16612072

COc1nccc2c1c(-c1ccc(CC#N)cc1)nn2C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.44
BTK Q06187 6/20 0.44
PRKDC P78527 8/20 0.42
S1PR1 P21453 1/20 0.40
CMKLR1 Q99788 2/20 0.38
PIK3CD O00329 7/20 0.38
ABL1 P00519 7/20 0.38
HCK P08631 7/20 0.38
SRC P12931 7/20 0.38
KDR P35968 7/20 0.38
PIK3CA P42336 7/20 0.38
PIK3CB P42338 7/20 0.38
MTOR P42345 7/20 0.38
PIK3CG P48736 7/20 0.38
EPHB4 P54760 7/20 0.38
PI4KB Q9UBF8 7/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL16610912 0.88 LRRK2 (0.46) EGFRBTKPRKDCCMKLR1PIK3CD
SCHEMBL16611184 0.78 EGFR (0.42) EGFRBTKPRKDCS1PR1PIK3CD
SCHEMBL16610902 0.78 EGFR (0.46) EGFRBTKPRKDCCMKLR1PIK3CD
SCHEMBL16610827 0.77 EGFR (0.42) EGFRBTKPRKDCS1PR1PIK3CD
SCHEMBL16611068 0.76 MERTK (0.47) EGFRBTKPRKDCPIK3CDABL1
SCHEMBL16610973 0.76 PIK3CG (0.37) EGFRPRKDCPIK3CDABL1HCK
SCHEMBL16610892 0.74 JAK2 (0.45)
SCHEMBL16610907 0.74 EGFR (0.37) EGFRBTKPRKDCCMKLR1PIK3CD
SCHEMBL16610897 0.72 DYRK1A (0.41) EGFRBTKS1PR1ABL1HCK
SCHEMBL16611217 0.71 LRRK2 (0.45) EGFRBTKPRKDCPIK3CDABL1

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 4532/4885BTK 117/4885PRKDC 871/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885BTK 117/4885PRKDC 871/4885

“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.