SCHEMBL2531291

SCHEMBL2531291

Cc1nnc(-c2cc(C=S)c3nc(-n4ccnc4)nc(N4CCOCC4)c3n2)o1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
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
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL2527338 0.86 RAF1 (0.33) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL1725302 0.86 RAF1 (0.34) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL12220428 0.85 PIK3CA (0.33) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL12220431 0.85 RAF1 (0.33) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL2531294 0.85 RAF1 (0.33) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL1724804 0.83 PIK3CA (0.35) RAF1BRAFPOLBMAPK1KMT2A
SCHEMBL2532701 0.79 PIK3CA (0.41) RAF1BRAF
SCHEMBL2533307 0.78 ALDH1A1 (0.35) RAF1BRAFCHEK1ATRPDCD1
SCHEMBL2532704 0.78 PIK3CA (0.36) RAF1BRAF
SCHEMBL2532766 0.72 OPRK1 (0.41) RAF1BRAF

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 1 patent. 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

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 41/4885CHEK1 735/4885

“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.