SCHEMBL6313336

SCHEMBL6313336

COc1cc(C)c(-c2cnc(N)nc2Nc2cnc3cc(C(F)(F)F)ccc3c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
PIK3CA P42336 3/20 0.39
ULK1 O75385 1/20 0.39
EGFR P00533 5/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
GAK O14976 3/20 0.38
DHFR P00374 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
PIK3R1 P27986 1/20 0.35

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
SCHEMBL6313711 0.86 PIK3CA (0.41) ALPLPIK3CADHFR
SCHEMBL6313257 0.85 GAK (0.46) ALPLULK1EGFRGAK
SCHEMBL6311387 0.84 IGF1R (0.47) ALPLPIK3CAEGFR
SCHEMBL6312253 0.81 ALPL (0.44) ALPLPIK3CAULK1DHFR
SCHEMBL6313459 0.81 PIK3CA (0.41) ALPLPIK3CAEGFRDHFR
SCHEMBL6313077 0.77 PIK3CA (0.47) PIK3CAEGFR
SCHEMBL6313634 0.71 ALPL (0.49) ALPLPIK3CA
SCHEMBL6314059 0.71 FYN (0.44) ALPLPIK3CAEGFRGAKDHFR
SCHEMBL6314437 0.69 EGFR (0.46) EGFR
SCHEMBL6313033 0.69 ALPL (0.42) ALPLPIK3CAULK1EGFRABCG2

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 disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO 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 423/4885ULK1 4345/4885

“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.