SCHEMBL6312059

SCHEMBL6312059

COc1cc(-c2cnc(N)nc2Nc2cnc3ccc(OC(F)(F)F)cc3c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
IGF1R P08069 3/20 0.41
FYN P06241 3/20 0.38
CSNK1D P48730 1/20 0.37
CHRNA7 P36544 1/20 0.37
EGFR P00533 4/20 0.37
KDR P35968 2/20 0.37
RUNX1 Q01196 1/20 0.37
INSR P06213 1/20 0.37
MET P08581 1/20 0.37
CDK2 P24941 1/20 0.37
TEK Q02763 1/20 0.37
LCK P06239 2/20 0.37
RPS6KA2 Q15349 1/20 0.37
GAK O14976 1/20 0.37
PIM1 P11309 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
DHFR P00374 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
SCHEMBL6314442 0.91 EGFR (0.45) ALPLIGF1RFYNEGFRKDR
SCHEMBL6312253 0.85 ALPL (0.44) ALPLIGF1RCSNK1DCHRNA7KDR
SCHEMBL6314059 0.83 FYN (0.44) ALPLIGF1RFYNEGFRKDR
SCHEMBL6313257 0.81 GAK (0.46) ALPLIGF1RFYNEGFRKDR
SCHEMBL6313459 0.75 PIK3CA (0.41) ALPLEGFRLCKDHFR
SCHEMBL6313606 0.75 EGFR (0.46) IGF1REGFRKDRINSRMET
SCHEMBL28037971 0.74 PRMT7 (0.49) FYNDHFR
SCHEMBL6639836 0.73 ALPL (0.44) ALPLIGF1RCHRNA7KDRAURKA
SCHEMBL6313033 0.73 ALPL (0.42) ALPLIGF1REGFRKDRINSR
SCHEMBL31180290 0.72 BRAF (0.51) FYNEGFRKDRCDK2LCK

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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALPL 3084/4885IGF1R 4054/4885FYN 1254/4885

“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.