SCHEMBL15065064

SCHEMBL15065064

CC(C)n1nc(-c2ccc(O)cc2)c2ncc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 12/20 0.44
PIK3CD O00329 11/20 0.44
ABL1 P00519 11/20 0.44
EGFR P00533 11/20 0.44
HCK P08631 11/20 0.44
SRC P12931 11/20 0.44
KDR P35968 11/20 0.44
PIK3CA P42336 11/20 0.44
PIK3CB P42338 11/20 0.44
MTOR P42345 11/20 0.44
PIK3CG P48736 11/20 0.44
EPHB4 P54760 11/20 0.44
PI4KB Q9UBF8 11/20 0.44
ESR1 P03372 1/20 0.43
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
MAPK14 Q16539 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15064402 0.82 KDM4E (0.51) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL570560 0.79 ESR1 (0.42) ESR1KDM4EALDH1A1GRIN2B
SCHEMBL570307 0.78 TGFBR1 (0.37) ESR1KDM4EALDH1A1GRIN2B
SCHEMBL18561572 0.77 KDR (0.47) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL12987576 0.67 GABRG2 (0.44) PIK3CDPIK3CAMTORESR1
SCHEMBL15064660 0.66 KDR (0.37) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL4030477 0.65 ESR1 (0.70) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL31617224 0.64 PTGDR2 (0.40) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL21051513 0.63 ESR1 (0.42) PRKDCPIK3CDABL1EGFRHCK
SCHEMBL569294 0.63 PDE1A (0.39) PRKDCPIK3CDABL1EGFRHCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US 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 (1 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PRKDC 2651/4885PIK3CD 2669/4885ABL1 1397/4885

“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.