SCHEMBL2377653

SCHEMBL2377653

CCOC(=O)c1ccc(NC(=O)N2CCc3c(-c4cnc(N(Cc5ccc(OC)cc5)Cc5ccc(OC)cc5)nc4)nc(N4CCOCC4)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.54
PIK3R1 P27986 11/20 0.54
PIK3CB P42338 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL2377447 0.90 PIK3CA (0.57) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2379788 0.90 PIK3CA (0.67) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2378586 0.87 PIK3R1 (0.50) PIK3CAPIK3R1PIK3CB
SCHEMBL2378304 0.87 PIK3CA (0.54) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2377669 0.86 PIK3CA (0.55) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2377241 0.86 PIK3R1 (0.48) PIK3CAPIK3R1PIK3CB
SCHEMBL2379086 0.86 PIK3R1 (0.49) PIK3CAPIK3R1PIK3CB
SCHEMBL2376411 0.86 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2377182 0.85 PIK3CA (0.73) PIK3CAPIK3R1PIK3CBALDH1A1RAB9A
SCHEMBL2378227 0.85 PIK3CA (0.56) PIK3CAPIK3R1PIK3CBMTOR

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 PIK3CA 1/4885PIK3R1 5/4885PIK3CB 8/4885

“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.