Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3617440 | 1.00 | HTT (0.50) | HTTALDH1A1TSHRPIN1KMT2A | |
| SCHEMBL8353354 | 0.87 | CA12 (0.42) | HTTALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL2987235 | 0.84 | HTT (0.53) | HTTALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL1455681 | 0.84 | PIN1 (0.50) | ALDH1A1TSHRPIN1KMT2AMEN1 | |
| SCHEMBL10951249 | 0.83 | ALDH1A1 (0.50) | HTTALDH1A1TSHRPIN1KMT2A | |
| Hydrochloric Acid SCHEMBL1977471 | 0.83 | PIN1 (0.49) | ALDH1A1TSHRPIN1KMT2AMEN1 | |
| SCHEMBL27579783 | 0.83 | PIN1 (0.49) | ALDH1A1TSHRPIN1KMT2AMEN1 | |
| SCHEMBL27315973 | 0.81 | PIN1 (0.47) | ALDH1A1TSHRPIN1KMT2AMEN1 | |
| SCHEMBL7490885 | 0.81 | ALDH1A1 (0.51) | HTTALDH1A1TSHRPIN1KMT2A | |
| SCHEMBL31174124 | 0.80 | RECQL (0.55) | ALDH1A1PIN1SMN1; SMN2MAPK1RECQL |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| EP-1656146-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1664026-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1664026-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| US-7465746-B2 | Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP | MERCK & CO., INC. (US) | 2008-12-16 | — | — | US | disclosed |
| US-7235580-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-7235580-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060287302-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-12-21 | — | — | US | disclosed |
| US-20060234984-A1 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. | 2006-10-19 | — | — | US | disclosed |
| WO-2006101780-A1 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2006-09-28 | — | — | WO | disclosed |
| EP-1656146-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| US-20060100191-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-05-11 | — | — | US | disclosed |
| WO-2005018547-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043357-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | US | disclosed |
| US-20050038074-A1 | Mitotic kinesin inhibitors | COLEMAN PAUL J (US) | 2005-02-17 | — | — | 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 (5 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-20060234984-A1 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | KIF5B, KIF2C, KIF5C | HTT 3197/4885ALDH1A1 1044/4885TSHR 3477/4885 |
| US-20050043357-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | HTT 986/4885ALDH1A1 2302/4885TSHR 4772/4885 |
| US-20060100191-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | HTT 986/4885ALDH1A1 2302/4885TSHR 4772/4885 |
| US-20060287302-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | HTT 986/4885ALDH1A1 2302/4885TSHR 4772/4885 |
| US-20050038074-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | HTT 986/4885ALDH1A1 2302/4885TSHR 4772/4885 |
“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.