SCHEMBL2533384

SCHEMBL2533384

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
OPRK1 P41145 12/20 0.34
PIK3CA P42336 3/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHEK1 O14757 1/20 0.32
ATR Q13535 1/20 0.32
PDCD1 Q15116 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SMPD3 Q9NY59 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
SCHEMBL12220414 0.88 PIK3CA (0.41) RAF1BRAFOPRK1PIK3CAOPRM1
SCHEMBL2532766 0.87 OPRK1 (0.41) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL12220416 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL12220428 0.85 PIK3CA (0.33) RAF1BRAFPIK3CACHEK1ATR
SCHEMBL1725307 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL1725302 0.85 RAF1 (0.34) RAF1BRAFOPRK1OPRM1OPRD1
SCHEMBL2531028 0.84 HTT (0.45) OPRK1PIK3CAOPRM1LMNAALOX15
SCHEMBL2533803 0.82 OPRK1 (0.38) RAF1BRAFOPRK1PIK3CAOPRM1
SCHEMBL2535025 0.78 PIK3CA (0.42) PIK3CACHEK1ATRPDCD1ATRIP
SCHEMBL2537603 0.76 PIK3CA (0.44) 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US 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.