SCHEMBL16611461

SCHEMBL16611461

Nc1cc(C(F)(F)F)c(-c2nc(N3CC4CCC(C3)O4)c3cc(C(=O)O)cn3n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
PIK3R1 P27986 7/20 0.60
PIK3CD O00329 2/20 0.60
PIK3CB P42338 2/20 0.60
PIK3CG P48736 2/20 0.60
MTOR P42345 15/20 0.58
RICTOR Q6R327 5/20 0.40
RPTOR Q8N122 5/20 0.40
MAPKAP1 Q9BPZ7 5/20 0.40
MLST8 Q9BVC4 5/20 0.40
PIK3C2B O00750 1/20 0.40
PRKDC P78527 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL16727877 0.87 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611305 0.85 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16622909 0.85 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16727874 0.82 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16727841 0.80 PIK3CA (0.82) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL19216954 0.79 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611564 0.79 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16612088 0.78 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16612087 0.78 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16622907 0.77 PIK3CA (0.49) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857403-B1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-10-10 EP disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 EP disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 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-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF PIK3CA, PIP4K2B, PIK3R5 PIK3CA 1/4885PIK3R1 18/4885PIK3CD 6/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B PIK3CA 1/4885PIK3R1 18/4885PIK3CD 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.