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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.63 |
| ▸ | CA2 | P00918 | 6/20 | 0.63 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | ACR | P10323 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3665174 | 0.91 | CA1 (0.69) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL16241062 | 0.91 | CA1 (0.69) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28535552 | 0.83 | MAPT (0.51) | CA1CA2KMT2AMEN1MAPT | |
| SCHEMBL28349431 | 0.79 | TSHR (0.57) | CA1CA2PARP10PARP1KMT2A | |
| Aniline SCHEMBL4258488 | 0.79 | CES2 (0.56) | CA1CA2PARP10PARP1PARP2 | |
| Methyl 4-Methoxybenzoate SCHEMBL231243 | 0.78 | CA1 (1.00) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL11792616 | 0.78 | CA1 (0.64) | CA1CA2STSKMT2AKDM4E | |
| SCHEMBL12673729 | 0.78 | CA1 (0.62) | CA1CA2PARP10PARP1PARP2 | |
| Methyl 4-Methoxybenzoate SCHEMBL27405603 | 0.77 | CA1 (0.95) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL1065026 | 0.76 | MAPT (0.44) | CA1CA2PARP10PARP4KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765827-A4 | A METHOD FOR PREPARING PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-07-29 | — | — | EP | disclosed |
| US-7534881-B2 | Method for preparing pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-19 | — | — | US | disclosed |
| EP-1765827-A2 | A METHOD FOR PREPARING PYRROLOTRIAZINE COMPOUNDS | Brystol-Myers Squibb Company (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006004724-A2 | A METHOD FOR PREPARING PYRROLOTRIAZINE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-12 | — | — | WO | disclosed |
| US-20060003967-A1 | Method for preparing pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-05 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060003967-A1 | Method for preparing pyrrolotriazine compounds | PPOX, DHPS, TPMT | CA1 3514/4885CA2 4517/4885PARP10 1331/4885 |
“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.