SCHEMBL21929461

SCHEMBL21929461

Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.73
PIK3R1 P27986 12/20 0.73
PIK3CD O00329 6/20 0.55
PIK3CB P42338 6/20 0.55
RAF1 P04049 1/20 0.55
PIK3CG P48736 6/20 0.52
MTOR P42345 7/20 0.48
PIK3R5 Q8WYR1 1/20 0.47
RICTOR Q6R327 2/20 0.47
RPTOR Q8N122 2/20 0.47
MAPKAP1 Q9BPZ7 2/20 0.47
MLST8 Q9BVC4 2/20 0.47

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
SCHEMBL21929430 0.92 PIK3CA (0.72) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL21929432 0.91 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929453 0.90 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929580 0.90 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929458 0.89 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929578 0.88 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929439 0.88 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929671 0.88 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929663 0.87 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBRAF1
SCHEMBL23434643 0.87 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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.