SCHEMBL2378088

SCHEMBL2378088

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=S)Nc3ccccc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
PIK3R1 P27986 13/20 0.56
PIK3CB P42338 1/20 0.42
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
JAK1 P23458 1/20 0.40
CDK2 P24941 1/20 0.40
AXL P30530 1/20 0.40
CDK5 Q00535 1/20 0.40
PTK2B Q14289 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2379788 0.92 PIK3CA (0.67) PIK3CAPIK3R1PIK3CBCDK1IGF1R
SCHEMBL2375640 0.91 PIK3CA (0.58) PIK3CAPIK3R1PIK3CB
SCHEMBL2376554 0.90 PIK3CA (0.49) PIK3CAPIK3R1PIK3CB
SCHEMBL2378360 0.89 PIK3CA (0.48) PIK3CAPIK3R1PIK3CB
SCHEMBL2376117 0.89 PIK3CA (0.48) PIK3CAPIK3R1PIK3CB
SCHEMBL2378847 0.89 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBALDH1A1
SCHEMBL2377877 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CB
SCHEMBL2377687 0.86 PIK3CA (0.52) PIK3CAPIK3R1PIK3CB
SCHEMBL2375948 0.86 PIK3CA (0.53) PIK3CAPIK3R1PIK3CB
SCHEMBL2377447 0.85 PIK3CA (0.57) PIK3CAPIK3R1PIK3CB

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.