Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 18/20 | 0.99 |
| ▸ | PIK3R1 known ✓ | P27986 | 12/20 | 0.99 |
| ▸ | PIK3CD known ✓ | O00329 | 4/20 | 0.82 |
| ▸ | PIK3CB known ✓ | P42338 | 4/20 | 0.82 |
| ▸ | PIK3CG known ✓ | P48736 | 3/20 | 0.49 |
| ▸ | RAF1 | P04049 | 1/20 | 0.82 |
| ▸ | MTOR | P42345 | 3/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16611467 | 0.99 | PIK3CA (1.00) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16612094 | 0.92 | PIK3CA (0.86) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16727845 | 0.91 | PIK3CA (0.85) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16611536 | 0.91 | PIK3CA (0.87) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| Risovalisib SCHEMBL16622890 | 0.90 | PIK3CA (1.00) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16622897 | 0.90 | PIK3CA (1.00) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16611748 | 0.89 | PIK3R1 (0.84) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16611746 | 0.89 | PIK3R1 (0.84) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16611845 | 0.89 | PIK3CA (1.00) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 | |
| SCHEMBL16612097 | 0.89 | PIK3CA (0.90) | PIK3CAPIK3R1PIK3CDPIK3CBRAF1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted 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.