SCHEMBL6311387

SCHEMBL6311387

COc1cc(C)c(-c2cnc(N)nc2Nc2cnc3ccccc3c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.47
PIK3CA P42336 3/20 0.46
ALPL P05186 8/20 0.45
TNF P01375 1/20 0.45
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
MET P08581 1/20 0.44
CDK2 P24941 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42

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 0.88 PIK3CA (0.41) PIK3CAALPLEGFRLMNASMN1; SMN2
SCHEMBL6313077 0.88 PIK3CA (0.47) IGF1RPIK3CAEGFRNOTUM
SCHEMBL6313711 0.88 PIK3CA (0.41) PIK3CAALPLLMNASMN1; SMN2KDM4E
SCHEMBL6313634 0.86 ALPL (0.49) IGF1RPIK3CAALPLTNFLMNA
SCHEMBL6313336 0.84 ALPL (0.43) PIK3CAALPLEGFR
SCHEMBL6312253 0.83 ALPL (0.44) IGF1RPIK3CAALPLKDRTEK
SCHEMBL6318985 0.82 PIK3CA (0.46) IGF1RPIK3CAALPLTNFKDR
SCHEMBL6315310 0.81 ADORA1 (0.45) IGF1RPIK3CAALPLTNFEGFR
SCHEMBL6314480 0.79 IGF1R (0.46) IGF1RPIK3CAALPLTNFEGFR
SCHEMBL6319109 0.77 EGFR (0.39) PIK3CAEGFRNPC1MAPT

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 IGF1R 4054/4885PIK3CA 423/4885ALPL 3084/4885

“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.