Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21526026 | 0.98 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Zinc Ion SCHEMBL21526080 | 0.98 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| SCHEMBL21526025 | 0.98 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Water SCHEMBL21526115 | 0.96 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Water SCHEMBL21526124 | 0.96 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Water SCHEMBL21526110 | 0.96 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Water SCHEMBL21526114 | 0.96 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| SCHEMBL21525996 | 0.88 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| SCHEMBL21526102 | 0.87 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 | |
| Tert-Butylamine SCHEMBL21526135 | 0.83 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1TP53MAPTENPP1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3564216-B1 | PYRIMIDINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2021-10-27 | — | — | EP | disclosed |
| US-11034659-B2 | Pyrimidine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2021-06-15 | — | — | US | disclosed |
| US-20200172494-A1 | PYRIMIDINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-06-04 | — | — | US | disclosed |
| EP-3564216-A1 | PYRIMIDINE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2019-11-06 | — | — | 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-11034659-B2 | Pyrimidine derivative | GPR39, CFTR, TMEM109 | PDE3B 2022/4885PDE3A 2010/4885SMN1; SMN2 2983/4885 |
| US-20200172494-A1 | PYRIMIDINE DERIVATIVE | GPR39, CFTR, TMEM109 | PDE3B 2022/4885PDE3A 2010/4885SMN1; SMN2 2983/4885 |
“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.