SCHEMBL13257515

SCHEMBL13257515

COC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(OC)c3)c2n1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.85
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13257327 0.92 PIK3CA (1.00) PIK3CA
SCHEMBL13257354 0.90 PIK3CA (0.79) PIK3CA
SCHEMBL13258259 0.90 PIK3CA (0.79) PIK3CA
SCHEMBL13257350 0.89 PIK3CA (0.68) PIK3CA
SCHEMBL13257299 0.88 PIK3CA (0.66) PIK3CA
SCHEMBL13258330 0.87 PIK3CA (0.67) PIK3CA
SCHEMBL16500526 0.87 PIK3CA (0.65) PIK3CA
SCHEMBL13258322 0.85 PIK3CA (0.84) PIK3CACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL13258236 0.85 PIK3CA (0.66) PIK3CA
SCHEMBL13257527 0.83 PIK3CA (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396322-B9 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-09-14 EP disclosed
EP-2396322-B1 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-02-03 EP disclosed
US-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2011-12-01 US disclosed
US-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2011-12-01 US disclosed
WO-2010091996-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-08-19 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-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885CYP1A2 2809/4885CYP3A4 3939/4885

“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.