SCHEMBL2377150

SCHEMBL2377150

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)N4CCN(Cc5ccncc5)CC4)cc3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.58
LSS P48449 1/20 0.49
PIK3R1 P27986 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 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
SCHEMBL2380157 0.94 PIK3CA (0.60) PIK3CA
SCHEMBL2375980 0.93 PIK3CA (0.56) PIK3CAPIK3R1
SCHEMBL2375517 0.93 PIK3CA (0.62) PIK3CAPIK3R1
SCHEMBL2378123 0.91 PIK3CA (0.60) PIK3CALSSPIK3R1CYP3A4CYP2C9
SCHEMBL2378322 0.91 PIK3CA (0.61) PIK3CAPIK3R1
SCHEMBL2376269 0.91 PIK3CA (0.61) PIK3CAPIK3R1
SCHEMBL2376926 0.91 PIK3CA (0.71) PIK3CAPIK3R1
SCHEMBL2378359 0.89 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL2377050 0.88 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2376345 0.88 PIK3CA (0.57) PIK3CAPIK3R1CYP3A4CYP2C9

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 1/4885LSS 1497/4885PIK3R1 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.