SCHEMBL2378359

SCHEMBL2378359

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
PIK3R1 P27986 3/20 0.46
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 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
SCHEMBL2376926 0.93 PIK3CA (0.71) PIK3CAPIK3R1HPGDSMN1; SMN2
SCHEMBL2375517 0.92 PIK3CA (0.62) PIK3CAPIK3R1HPGDSMN1; SMN2
SCHEMBL2376269 0.91 PIK3CA (0.61) PIK3CAPIK3R1
SCHEMBL2380157 0.91 PIK3CA (0.60) PIK3CA
SCHEMBL2378322 0.90 PIK3CA (0.61) PIK3CAPIK3R1HPGDSMN1; SMN2
SCHEMBL2378828 0.90 PIK3CA (0.59) PIK3CAPIK3R1
SCHEMBL2376346 0.90 PIK3CA (0.59) PIK3CAPIK3R1
SCHEMBL2377150 0.89 PIK3CA (0.58) PIK3CAPIK3R1
SCHEMBL2378281 0.89 PIK3CA (0.56) PIK3CAPIK3R1
SCHEMBL2376345 0.88 PIK3CA (0.57) PIK3CAPIK3R1HPGDSMN1; SMN2

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 5/4885HPGD 1383/4885

“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.