SCHEMBL16611367

SCHEMBL16611367

COC(=O)c1cc2c(N3CCOCC3C)nc(-c3cnc(NC(=O)C(C)(C)C)cc3C(F)(F)F)nn2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 8/20 0.63
PIK3CA P42336 18/20 0.51
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
RAF1 P04049 1/20 0.48
PIK3CG P48736 1/20 0.48
MTOR P42345 8/20 0.45
RPTOR Q8N122 2/20 0.45
MLST8 Q9BVC4 2/20 0.45

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
SCHEMBL16611365 1.00 PIK3R1 (0.63) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL16727872 0.91 PIK3R1 (0.61) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL16611575 0.88 PIK3CA (0.62) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL16622907 0.82 PIK3CA (0.49) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL21929455 0.81 PIK3R1 (0.51) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL19216917 0.81 PIK3CA (0.47) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL18373112 0.81 PIK3CA (0.42) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL23140216 0.81 PIK3CA (0.70) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL22006657 0.80 PIK3R1 (0.51) PIK3R1PIK3CAPIK3CDPIK3CBRAF1
SCHEMBL19216918 0.80 PIK3CA (0.46) PIK3R1PIK3CAPIK3CDPIK3CBRAF1

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 6 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-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-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

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 PIK3R1 18/4885PIK3CA 1/4885PIK3CD 6/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B PIK3R1 18/4885PIK3CA 1/4885PIK3CD 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.