SCHEMBL2528796

SCHEMBL2528796

COCc1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.37
CD38 P28907 3/20 0.37
PIK3CD O00329 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE5A O76074 2/20 0.36
TBXAS1 P24557 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL12220520 0.89 CD38 (0.35) PIK3CACD38PIK3CDCYP1A2CYP3A4
SCHEMBL2532696 0.86 CD38 (0.39) PIK3CACD38PIK3CDALDH1A1PDE5A
SCHEMBL2535618 0.86 PIK3CD (0.48) PIK3CACD38PIK3CDALDH1A1KDM4E
SCHEMBL2531943 0.85 TSHR (0.37) PIK3CACD38PIK3CDCYP1A2CYP3A4
SCHEMBL2535022 0.85 KDM4E (0.40) PIK3CACD38PIK3CDCYP1A2CYP3A4
SCHEMBL2535247 0.83 CHRM2 (0.36) PIK3CACD38CYP1A2CYP3A4CYP2D6
SCHEMBL2531320 0.83 LMNA (0.40) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2533307 0.82 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2533309 0.82 ALDH1A1 (0.37) PIK3CACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2535025 0.81 PIK3CA (0.42) PIK3CAALDH1A1LMNAHTTL3MBTL1

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 PIK3CA 1/4885CD38 1818/4885PIK3CD 2/4885

“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.