SCHEMBL6319164

SCHEMBL6319164

Nc1ncc(-c2ccc(N3CCOCC3)nc2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.58
CNR2 P34972 1/20 0.47
IGF1R P08069 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6313704 0.82 IGF1R (0.59) PIK3CAIGF1R
SCHEMBL6313126 0.79 HTR3A (0.52) PIK3CAIGF1RKDM4ENPC1SMN1; SMN2
SCHEMBL6318862 0.77 DHFR (0.56) PIK3CAIGF1RKDM4E
SCHEMBL881132 0.77 PIK3CA (0.70) PIK3CAIGF1R
SCHEMBL6318945 0.76 TNF (0.44) PIK3CASMN1; SMN2
SCHEMBL10327901 0.76 PIK3CA (0.68) PIK3CA
SCHEMBL6312244 0.75 CYP1A2 (0.52) PIK3CAKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL6315288 0.75 PDGFRB (0.49) PIK3CAKDM4ENPC1SMN1; SMN2
SCHEMBL10328050 0.75 PIK3CA (0.71) PIK3CA
SCHEMBL10328079 0.74 PIK3CA (0.66) PIK3CA

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 PIK3CA 423/4885CNR2 1036/4885IGF1R 4054/4885

“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.