SCHEMBL22006148

SCHEMBL22006148

COC(=O)c1cc2c(=O)[nH]c(-c3cnc(NC(=O)C(C)(C)C)cc3C(F)(F)F)nn2c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
SPR P35270 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
CFTR P13569 2/20 0.32
ABL1 P00519 2/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL16611005 0.82 S1PR1 (0.36) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL21933454 0.79 AR (0.39) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL21929669 0.79 AR (0.38) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL16727857 0.78 S1PR1 (0.38) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL21929666 0.76 PIK3CA (0.51) PIK3R1PIK3CAMTOR
SCHEMBL23140215 0.73 PIK3CA (0.42) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL29113168 0.70 PIK3CA (0.41) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL16731004 0.68 S1PR1 (0.37) S1PR1S1PR3KDRKDM4E
SCHEMBL18373112 0.67 PIK3CA (0.42) S1PR1S1PR3PIK3R1PIK3CAMTOR
SCHEMBL16622903 0.67 PIK3CA (0.41) S1PR1S1PR3PIK3R1PIK3CAMTOR

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-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
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

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 S1PR1 1487/4885S1PR3 1756/4885SPR 2209/4885
US-20200157110-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREOF AND USES THEREOF PIK3R5, JAK2, PIK3C3 S1PR1 1487/4885S1PR3 1756/4885SPR 2209/4885

“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.