SCHEMBL2376660

SCHEMBL2376660

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)NCc4ccncc4)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.51
TSHR P16473 1/20 0.45
PIK3R1 P27986 1/20 0.43

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
SCHEMBL2377781 0.93 PIK3CA (0.48) PIK3CAPIK3R1
SCHEMBL2379013 0.91 PIK3CA (0.52) PIK3CATSHRPIK3R1
SCHEMBL2377874 0.91 PIK3CA (0.46) PIK3CATSHRPIK3R1
SCHEMBL2375983 0.91 PIK3CA (0.48) PIK3CAPIK3R1
SCHEMBL2378126 0.90 PIK3CA (0.52) PIK3CAPIK3R1
SCHEMBL2378826 0.89 PIK3CA (0.52) PIK3CA
SCHEMBL2378152 0.89 PIK3CA (0.48) PIK3CAPIK3R1
SCHEMBL2377678 0.88 PIK3CA (0.56) PIK3CATSHRPIK3R1
SCHEMBL2377596 0.88 PIK3CA (0.50) PIK3CAPIK3R1
SCHEMBL2379287 0.88 PIK3CA (0.64) PIK3CAPIK3R1

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 1/4885TSHR 3412/4885PIK3R1 5/4885

“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.