SCHEMBL16611000

SCHEMBL16611000

CC(C)(C)C(=O)Nc1cc(C(F)(F)F)c(-c2nc(Cl)c3cc(C(=O)O)cn3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.41
PIK3R1 P27986 8/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 1/20 0.41
MTOR P42345 1/20 0.40
RAF1 P04049 1/20 0.39
RORC P51449 4/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TGFBR1 P36897 1/20 0.37
ABL1 P00519 3/20 0.35
BCR P11274 2/20 0.35

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
SCHEMBL16622903 0.91 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16727856 0.90 PIK3CA (0.40) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL24599184 0.81 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL18373112 0.81 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL18357110 0.79 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611575 0.75 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16727870 0.73 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16622907 0.73 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611005 0.72 S1PR1 (0.36) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL16611367 0.72 PIK3R1 (0.63) 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
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
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 (1 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

“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.