Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 10/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28446561 | 0.79 | PGR (0.44) | PGRMEN1KMT2ACASP3CYP1A2 | |
| SCHEMBL1679507 | 0.78 | PGR (0.49) | PGRMEN1KMT2ACASP3TTR | |
| SCHEMBL11405146 | 0.78 | CASP3 (0.44) | PGRMEN1KMT2ACASP3ALDH1A1 | |
| SCHEMBL11741136 | 0.76 | PGR (0.53) | PGRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL31238640 | 0.76 | MAPT (0.56) | PGRMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL1260714 | 0.76 | MAPT (0.56) | PGRMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL11543073 | 0.75 | PGR (0.55) | PGRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL7650360 | 0.75 | NR1H2 (0.43) | PGRMEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL11734092 | 0.75 | PGR (0.51) | PGRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL11737697 | 0.74 | MAOB (0.51) | PGRMEN1KMT2ACYP1A2CYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11248006-B2 | Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2022-02-15 | — | — | US | disclosed |
| US-20200377520-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-12-03 | — | — | US | disclosed |
| US-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | NEUROGEN CORPORATION (US) | 2007-05-10 | — | — | US | disclosed |
| EP-1678173-A2 | 4-HETEROBICYCLYLAMINO-SUBSTITUTED QUINAZOLINES AND ANALOGUES THEREOF AS CAPSAICIN-ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005023807-A2 | 4 - HETEROBICYCLYAMINO - SUBSTITUTED QUINAZOLINES AND ANALOGUES THEROF AS CAPSAICIN - ANTAGONISTS | NEUROGEN CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | disclosed |
| US-4031219-A | ANTIARRHYTHYMICS | BOEHRINGER INGELHEIM GMBH (DT) | 1977-06-21 | — | — | 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 (3 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-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | PIGS, HRH4, GPR35 | PGR 765/4885MEN1 4436/4885KMT2A 2511/4885 |
| US-20200377520-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | WEE1, WEE2, PDPK1 | PGR 1617/4885MEN1 1993/4885KMT2A 3249/4885 |
| US-11248006-B2 | Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof | WEE1, WEE2, PDPK1 | PGR 1617/4885MEN1 1993/4885KMT2A 3249/4885 |
“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.