SCHEMBL1725302

SCHEMBL1725302

Cc1noc(-c2cc(C=S)c3nc(-n4ccnc4)nc(N4CCOCC4)c3n2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
OPRK1 P41145 18/20 0.33
OPRM1 P35372 8/20 0.32
OPRD1 P41143 2/20 0.32
KCNH2 Q12809 1/20 0.31
CHEK1 O14757 1/20 0.31
ATR Q13535 1/20 0.31
PDCD1 Q15116 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL2532766 0.86 OPRK1 (0.41) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL2531291 0.86 RAF1 (0.32) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL2533384 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL12220416 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL1725307 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL1711441 0.85 HTT (0.45) OPRK1OPRM1OPRD1
SCHEMBL2533803 0.83 OPRK1 (0.38) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL12220414 0.79 PIK3CA (0.41) RAF1BRAFOPRK1OPRM1
SCHEMBL2533307 0.78 ALDH1A1 (0.35) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL2527338 0.72 RAF1 (0.33) RAF1BRAFCHEK1ATRPDCD1

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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
EP-2344490-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES ACTIVE ON PI3K Merck Serono S.A. (CH) 2011-07-20 EP disclosed
WO-2010037765-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-04-08 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG RAF1 141/4885BRAF 41/4885OPRK1 3582/4885

“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.