Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12568633 | 1.00 | SIGMAR1 (0.36) | SIGMAR1HTR2ADRD2DRD3BCHE | |
| SCHEMBL684126 | 0.87 | HRH3 (0.41) | HRH2HRH1HRH3 | |
| SCHEMBL734698 | 0.87 | HRH3 (0.41) | HRH2HRH1HRH3 | |
| SCHEMBL8434577 | 0.87 | HRH3 (0.41) | HRH2HRH1HRH3 | |
| SCHEMBL10233158 | 0.82 | HTR2A (0.35) | SIGMAR1HTR2ADRD2DRD3BCHE | |
| SCHEMBL28205596 | 0.82 | PIM1 (0.33) | BCHEPIM1HRH2HRH1HRH3 | |
| SCHEMBL20843906 | 0.82 | PIM1 (0.33) | BCHEPIM1HRH2HRH1HRH3 | |
| SCHEMBL13456528 | 0.82 | NEK1 (0.34) | SIGMAR1BCHEPIM1HRH3 | |
| SCHEMBL24192655 | 0.81 | CYP3A4 (0.33) | SIGMAR1HTR2ADRD2DRD3BCHE | |
| SCHEMBL12104149 | 0.80 | CYP3A4 (0.35) | SIGMAR1HTR2ADRD2DRD3CYP1A2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210380595-A1 | 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS | ARAXES PHARMA LLC (US) | 2021-12-09 | — | — | US | disclosed |
| US-10179784-B2 | Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof | INVENTISBIO SHANGHAI LTD. (CN) | 2019-01-15 | — | — | US | disclosed |
| US-20170355696-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | InventisBio Co., Ltd. (CN) | 2017-12-14 | — | — | US | disclosed |
| US-20170333433-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO, LTD. (CN) | 2017-11-23 | — | — | US | disclosed |
| US-20170304305-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2017-10-26 | — | — | US | disclosed |
| US-9730934-B2 | Quinazoline derivatives substituted by aniline, preparation method and use thereof | Xuanzhu Pharma Co., Ltd. (CN) | 2017-08-15 | — | — | US | disclosed |
| EP-2612860-B1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2017-03-15 | — | — | EP | disclosed |
| US-20130184297-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | Xuanzhu Pharma Co., Ltd. (CN) | 2013-07-18 | — | — | US | disclosed |
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | JITSUOKA MAKOTO (JP) | 2012-06-14 | — | — | US | disclosed |
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | JITSUOKA MAKOTO (JP) | 2012-06-14 | — | — | US | disclosed |
| US-8158791-B2 | Aza-substituted spiro derivatives | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| WO-2012027960-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | 山东轩竹医药科技有限公司 (CN) | 2012-03-08 | — | — | WO | disclosed |
| US-20110269737-A1 | 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | US | disclosed |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2011-07-28 | — | — | US | disclosed |
| US-20090258871-A1 | Aza-Substituted Spiro Derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-10-15 | — | — | 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 (10 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-20110269737-A1 | 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases | MAPKAPK2, MAPKAPK5, MAPK7 | SIGMAR1 1885/4885HTR2A 271/4885DRD2 2426/4885 |
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | AZI2, NR3C2, DNMT3A | SIGMAR1 193/4885HTR2A 1166/4885DRD2 18/4885 |
| US-20170304305-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | NQO2, CHRM1, CHRM2 | SIGMAR1 632/4885HTR2A 723/4885DRD2 235/4885 |
| US-20170333433-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | NQO2, CHRM1, CHRM2 | SIGMAR1 632/4885HTR2A 723/4885DRD2 235/4885 |
| US-20210380595-A1 | 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS | KRAS, NRAS, G3BP2 | SIGMAR1 2998/4885HTR2A 3683/4885DRD2 3414/4885 |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | CHEK1, CHEK2, BUB1B | SIGMAR1 4816/4885HTR2A 4871/4885DRD2 4854/4885 |
| US-20130184297-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | NQO2, CHRM1, CHRM2 | SIGMAR1 632/4885HTR2A 723/4885DRD2 235/4885 |
| US-20170355696-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | EGFR, WEE1, DPYD | SIGMAR1 3357/4885HTR2A 3711/4885DRD2 4521/4885 |
| US-10179784-B2 | Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof | EGFR, WEE1, DPYD | SIGMAR1 3266/4885HTR2A 3693/4885DRD2 4588/4885 |
| US-20090258871-A1 | Aza-Substituted Spiro Derivatives | AZI2, NR3C2, DNMT3A | SIGMAR1 193/4885HTR2A 1166/4885DRD2 18/4885 |
“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.