SCHEMBL6313711

SCHEMBL6313711

COc1ccc2cc(Nc3nc(N)ncc3-c3cc(OC)c(OC)cc3C)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
DHFR P00374 3/20 0.40
ALPL P05186 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 5/20 0.39
PDE10A Q9Y233 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
PTK2B Q14289 1/20 0.36
NCOA1 Q15788 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
SCHEMBL6313459 0.92 PIK3CA (0.41) PIK3CADHFRALPLLMNASMN1; SMN2
SCHEMBL6311387 0.88 IGF1R (0.47) PIK3CAALPLLMNASMN1; SMN2KDM4E
SCHEMBL6313336 0.86 ALPL (0.43) PIK3CADHFRALPL
SCHEMBL6314059 0.84 FYN (0.44) PIK3CADHFRALPLLMNASMN1; SMN2
SCHEMBL6312253 0.83 ALPL (0.44) PIK3CADHFRALPL
SCHEMBL6313634 0.82 ALPL (0.49) PIK3CAALPLLMNASMN1; SMN2KDM4E
SCHEMBL6313077 0.80 PIK3CA (0.47) PIK3CAPDGFRBPDGFRA
SCHEMBL6314480 0.76 IGF1R (0.46) PIK3CAALPLLMNASMN1; SMN2PDE10A
SCHEMBL6314442 0.76 EGFR (0.45) PIK3CADHFRALPLPDGFRBPDGFRA
SCHEMBL6313257 0.71 GAK (0.46) ALPLSMN1; SMN2KDM4EGAAALDH1A1

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 2 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
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 PIK3CA 423/4885DHFR 4/4885ALPL 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.