SCHEMBL16610973

SCHEMBL16610973

COc1nccc2c1c(-c1ccc(CC#N)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.37
PIK3CD O00329 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
HCK P08631 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
NAAA Q02083 1/20 0.34
FLT3 P36888 1/20 0.32
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL16611506 0.90 PIK3CG (0.41) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL16611134 0.83 FFAR4 (0.36) EGFRSRCCCNA2CDK2MAPK14
SCHEMBL16610719 0.82 PIK3CG (0.36) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL16611684 0.80 RORC (0.43) CCNA2CDK2
SCHEMBL16611034 0.79 SRC (0.39) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL16611229 0.79 LRRK2 (0.33) CCNA2CDK2ABCC1LRRK2
SCHEMBL16611049 0.79 PTGS2 (0.43) PIK3CGPIK3CDABL1EGFRHCK
SCHEMBL16610536 0.77 BRAF (0.39) PIK3CDFLT3MEN1KMT2AFGFR1
SCHEMBL16610962 0.77 MAP4K1 (0.41) PIK3CAMTORPRKDCCCNA2CDK2
SCHEMBL16611438 0.77 HTR7 (0.38) KDRCCNA2CDK2FLT3CYP3A4

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 PIK3CG 1409/4885PIK3CD 1337/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PIK3CG 1409/4885PIK3CD 1337/4885ABL1 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.