SCHEMBL1724804

SCHEMBL1724804

Cc1nnc(-c2ccc3nc(-n4ccnc4)nc(N4CCOCC4)c3n2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
CD38 P28907 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PDE5A O76074 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3R1 P27986 1/20 0.33
MTOR P42345 1/20 0.32

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
SCHEMBL2533803 0.85 OPRK1 (0.38) PIK3CARAF1BRAF
SCHEMBL12220431 0.84 RAF1 (0.33) RAF1BRAFMTOR
SCHEMBL2527338 0.84 RAF1 (0.33) PIK3CAPOLBMAPK1KMT2ARAF1
SCHEMBL12220487 0.83 PIK3CA (0.35) PIK3CAPOLBMAPK1KMT2ARAF1
SCHEMBL2535022 0.83 KDM4E (0.40) PIK3CAPOLBMAPK1KMT2ARAF1
SCHEMBL2531291 0.83 RAF1 (0.32) POLBMAPK1KMT2ARAF1BRAF
SCHEMBL12220428 0.82 PIK3CA (0.33) PIK3CARAF1BRAFLMNATSHR
SCHEMBL2531294 0.82 RAF1 (0.33) RAF1BRAFKDM4EALDH1A1HPGD
SCHEMBL12220503 0.82 CD38 (0.37) PIK3CAPOLBMAPK1KMT2ARAF1
SCHEMBL12220486 0.81 PIK3CA (0.37) PIK3CAPOLBMAPK1KMT2ARAF1

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
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
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 PIK3CA 1/4885POLB 203/4885MAPK1 60/4885

“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.