SCHEMBL6312253

SCHEMBL6312253

COc1cc(C)c(-c2cnc(N)nc2Nc2cnc3ccc(OC(F)(F)F)cc3c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
PIK3CA P42336 2/20 0.38
PIM1 P11309 1/20 0.36
IGF1R P08069 2/20 0.36
ULK1 O75385 1/20 0.36
RUNX1 Q01196 1/20 0.36
DHFR P00374 2/20 0.35
CHRNA7 P36544 1/20 0.35
EIF2AK2 P19525 1/20 0.35
SYK P43405 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CSNK1D P48730 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL6313459 0.91 PIK3CA (0.41) ALPLPIK3CADHFR
SCHEMBL6312059 0.85 ALPL (0.44) ALPLPIM1IGF1RRUNX1DHFR
SCHEMBL6639836 0.85 ALPL (0.44) ALPLIGF1RCHRNA7SYKKDR
SCHEMBL6313711 0.83 PIK3CA (0.41) ALPLPIK3CADHFR
SCHEMBL6311387 0.83 IGF1R (0.47) ALPLPIK3CAIGF1RKDRTEK
SCHEMBL6313336 0.81 ALPL (0.43) ALPLPIK3CAULK1DHFR
SCHEMBL6313077 0.77 PIK3CA (0.47) PIK3CAIGF1RSYK
SCHEMBL6314442 0.75 EGFR (0.45) ALPLPIK3CAIGF1RDHFRKDR
SCHEMBL6313634 0.74 ALPL (0.49) ALPLPIK3CAIGF1RCNR2
SCHEMBL6313606 0.71 EGFR (0.46) IGF1RKDRTEK

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
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 3084/4885PIK3CA 423/4885PIM1 1355/4885

“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.