Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.36 |
| ▸ | EGFR known ✓ | P00533 | 6/20 | 0.36 |
| ▸ | KDR known ✓ | P35968 | 6/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 3/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | PRMT7 | Q9NVM4 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30011674 | 1.00 | OPRK1 (0.36) | OPRK1OPRM1EGFRMKNK1KDR | |
| SCHEMBL30010761 | 0.94 | KDR (0.36) | EGFRMKNK1KDRMETALK | |
| SCHEMBL20162222 | 0.94 | KDR (0.36) | EGFRMKNK1KDRMETALK | |
| SCHEMBL20162200 | 0.92 | EGFR (0.38) | EGFRMKNK1KDRHSD11B1MET | |
| SCHEMBL30011346 | 0.92 | EGFR (0.38) | EGFRMKNK1KDRHSD11B1MET | |
| SCHEMBL18386752 | 0.91 | EGFR (0.39) | OPRK1OPRM1EGFRMKNK1KDR | |
| SCHEMBL20162208 | 0.87 | EGFR (0.36) | EGFRMKNK1KDRHSD11B1JAK2 | |
| SCHEMBL30010747 | 0.87 | EGFR (0.36) | EGFRMKNK1KDRHSD11B1JAK2 | |
| SCHEMBL18386897 | 0.87 | KDR (0.40) | EGFRMKNK1KDRALK | |
| SCHEMBL20162197 | 0.86 | MKNK1 (0.40) | EGFRMKNK1KDRHSD11B1JAK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10329277-B2 | N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2019-06-25 | — | — | US | disclosed |
| US-20180208581-A1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2018-07-26 | — | — | US | disclosed |
| EP-3323817-A1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) | 2018-05-23 | — | — | 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-20180208581-A1 | ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF | EGFR, ERBB2, ERBB3 | OPRM1 2935/4885EGFR 1/4885KDR 44/4885 |
| US-10329277-B2 | N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity | EGFR, ERBB2, ERBB3 | OPRM1 544/4885EGFR 1/4885KDR 12/4885 |
“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.