Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CASP7 | P55210 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL670753 | 0.78 | CASP1 (0.57) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL669722 | 0.74 | TYRO3 (0.58) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL15033833 | 0.73 | CASP1 (0.47) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL669492 | 0.72 | AURKA (0.59) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL669197 | 0.72 | IGF1R (0.59) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL669825 | 0.69 | ULK1 (0.61) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL12190152 | 0.68 | CYP1A2 (0.50) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL15033834 | 0.68 | GSK3B (0.64) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL21110398 | 0.66 | JAK3 (0.48) | CASP1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL8232966 | 0.65 | PRMT6 (0.52) | MEN1KMT2AHIF1ATSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8906916-B2 | Pyrimidine derivatives as FAK inhibitors | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8906916-B2 | Pyrimidine derivatives as FAK inhibitors | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-20130158005-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-20 | — | — | US | disclosed |
| US-20130158005-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-20 | — | — | 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-20130158005-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | CDK2, PTK2, CDKN1A | CASP1 1959/4885MEN1 2958/4885KMT2A 1954/4885 |
“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.