SCHEMBL2377609

SCHEMBL2377609

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)N(C)CCc3ccc(C(=O)N4CCN(C)CC4)cc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.52
PIK3R1 P27986 8/20 0.47
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2379669 0.95 PIK3CA (0.55) PIK3CAPIK3R1HPGDSMN1; SMN2MTOR
SCHEMBL2379226 0.90 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CGMEN1
SCHEMBL2377429 0.89 PIK3CA (0.54) PIK3CAPIK3R1SMN1; SMN2MEN1KMT2A
SCHEMBL2378299 0.89 PIK3CA (0.53) PIK3CAPIK3R1HPGDSMN1; SMN2MTOR
SCHEMBL2376000 0.87 PIK3CA (0.68) PIK3CAPIK3R1MTORPIK3CG
SCHEMBL19611256 0.87 PIK3CA (0.55) PIK3CAPIK3R1HPGDSMN1; SMN2MTOR
SCHEMBL2377992 0.87 PIK3CA (0.53) PIK3CAPIK3R1HPGDSMN1; SMN2MTOR
SCHEMBL2376926 0.86 PIK3CA (0.71) PIK3CAPIK3R1HPGDSMN1; SMN2MTOR
SCHEMBL2376768 0.86 PIK3CA (0.49) PIK3CAPIK3R1
SCHEMBL2378223 0.85 PIK3CA (0.57) PIK3CAPIK3R1MTORPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.