SCHEMBL21929463

SCHEMBL21929463

COC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)c(C)n3n2)cn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.75
PIK3R1 P27986 12/20 0.75
PIK3CD O00329 7/20 0.75
PIK3CB P42338 7/20 0.75
RAF1 P04049 1/20 0.75
MTOR P42345 7/20 0.45
PIK3CG P48736 6/20 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
SCHEMBL21929464 0.92 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929462 0.92 PIK3CA (0.77) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL22006217 0.91 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929467 0.90 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929585 0.90 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL23434892 0.89 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929583 0.89 PIK3CA (0.77) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929465 0.89 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929596 0.87 PIK3CA (0.66) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929461 0.86 PIK3CA (0.73) PIK3CAPIK3R1PIK3CDPIK3CBRAF1

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
US-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-04 US disclosed
EP-3643717-B1 7-SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-06-02 EP disclosed
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-05-21 US disclosed
EP-3643717-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 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 (2 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-11214572-B2 7-site substituted pyrrole triazine compounds or pharmaceutically acceptable salts thereof, and preparation method thereof and uses thereof PIK3R5, JAK2, PIK3C3 PIK3CA 9/4885PIK3R1 6/4885PIK3CD 4/4885
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF PIK3R5, JAK2, PIK3C3 PIK3CA 9/4885PIK3R1 6/4885PIK3CD 4/4885

“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.