Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL11571831 | 0.91 | EGFR (0.37) | CA1CA12CA9CA2CA14 | |
| SCHEMBL11676295 | 0.90 | DNM1 (0.44) | CA1CA12CA9CA2ALDH1A1 | |
| SCHEMBL11467240 | 0.88 | CA1 (0.37) | CA1CA12CA9CA2CA14 | |
| SCHEMBL9161061 | 0.83 | CA1 (0.60) | CA1CA12CA9CA2CA14 | |
| SCHEMBL11571089 | 0.83 | ALDH1A1 (0.41) | CA1CA12CA9CA2ALDH1A1 | |
| SCHEMBL11571274 | 0.83 | ALDH1A1 (0.41) | CA1CA12CA9CA2ALDH1A1 | |
| SCHEMBL11571290 | 0.83 | ALDH1A1 (0.41) | CA1CA12CA9CA2ALDH1A1 | |
| SCHEMBL11456471 | 0.81 | S1PR2 (0.37) | CA1CA12CA9CA2CA14 | |
| SCHEMBL5257178 | 0.81 | CA1 (0.43) | CA1CA12CA9CA2CA14 | |
| SCHEMBL11448965 | 0.80 | S1PR2 (0.40) | CA1CA12CA9CA2VCAM1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10538533-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2020-01-21 | — | — | US | disclosed |
| US-20180118762-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |
| US-20180118762-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |
| US-9802960-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-10-31 | — | — | US | disclosed |
| US-9802960-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-10-31 | — | — | US | disclosed |
| US-9751854-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-9751854-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-16 | — | — | US | disclosed |
| US-9580444-B2 | Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof | SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) | 2017-02-28 | — | — | US | disclosed |
| EP-2975040-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | Sagami Chemical Research Institute (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-13 | — | — | US | disclosed |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-13 | — | — | US | disclosed |
| WO-2015108861-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-23 | — | — | WO | disclosed |
| US-6458783-B1 | INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-01 | — | — | US | disclosed |
| WO-2001081322-A1 | NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-11-01 | — | — | WO | disclosed |
| EP-0463464-B1 | Process for the preparation of 2-chloro-5-methylpyridine | BAYER AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5099025-A | PREPARATION OF 2-CHLORO-5-METHYL-PYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-24 | — | — | US | disclosed |
| EP-0463464-A1 | Process for the preparation of 2-chloro-5-methylpyridine | BAYER AG (DE) | 1992-01-02 | — | — | EP | disclosed |
| US-4816372-A | Heat development process and color photographic recording material suitable for this process | AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) | 1989-03-28 | — | — | 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 (4 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-20180118762-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | CA1 4883/4885CA12 4885/4885CA9 4863/4885 |
| US-10538533-B2 | Heteroaryls and uses thereof | VPS35, VPS4B, VPS26B | CA1 4883/4885CA12 4885/4885CA9 4863/4885 |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | CA1 4883/4885CA12 4885/4885CA9 4863/4885 |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | CA1 4883/4885CA12 4885/4885CA9 4863/4885 |
“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.