Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22524329 | 0.81 | AURKA (0.56) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL22524331 | 0.81 | AURKA (0.56) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL6746639 | 0.77 | PDPK1 (0.43) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL1798451 | 0.75 | FADS1 (0.45) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL1795052 | 0.75 | AURKA (0.46) | AURKARPS6KB1PDPK1EGFRCA1 | |
| SCHEMBL19010820 | 0.73 | CDK1 (0.47) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL8544073 | 0.73 | GBA1 (0.50) | AURKARPS6KB1PDPK1EGFRCA1 | |
| SCHEMBL20568592 | 0.72 | EGFR (0.57) | AURKARPS6KB1PDPK1EGFRGBA1 | |
| SCHEMBL2476603 | 0.71 | CYP3A4 (0.46) | CDK1AURKARPS6KB1PDPK1EGFR | |
| SCHEMBL782972 | 0.69 | EGFR (0.51) | CDK1AURKARPS6KB1PDPK1EGFR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210070798-A1 | Inhibitors of E1 activating enzymes | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-03-11 | — | — | US | disclosed |
| US-20180086785-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. | 2018-03-29 | — | — | US | disclosed |
| US-20170073367-A9 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENIUM PHARMACEUTICALS, INC. | 2017-03-16 | — | — | US | disclosed |
| US-20160194348-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENNIUM PHARM INC (US) | 2016-07-07 | — | — | US | disclosed |
| US-20140256668-A9 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20130338094-A1 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-12-19 | — | — | US | disclosed |
| EP-1848718-B1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2012-08-01 | — | — | EP | disclosed |
| US-20110136834-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-06-09 | — | — | US | disclosed |
| US-7951810-B2 | Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20060189636-A1 | Inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-08-24 | — | — | 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 (8 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-20180086785-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | CDK1 14/4885AURKA 1525/4885RPS6KB1 330/4885 |
| US-20170073367-A9 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | CDK1 14/4885AURKA 1525/4885RPS6KB1 330/4885 |
| US-20110136834-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | ECE1, RNASE1, RCE1 | CDK1 4/4885AURKA 1673/4885RPS6KB1 440/4885 |
| US-20140256668-A9 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | DPYD, CCND3, POLD3 | CDK1 81/4885AURKA 1161/4885RPS6KB1 235/4885 |
| US-20160194348-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | CDK1 14/4885AURKA 1525/4885RPS6KB1 330/4885 |
| US-20210070798-A1 | Inhibitors of E1 activating enzymes | ECE1, RNASE1, RCE1 | CDK1 4/4885AURKA 1673/4885RPS6KB1 440/4885 |
| US-20130338094-A1 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | DPYD, CCND3, POLD3 | CDK1 81/4885AURKA 1161/4885RPS6KB1 235/4885 |
| US-20060189636-A1 | Inhibitors of E1 activating enzymes | ECE1, RNASE1, RCE1 | CDK1 4/4885AURKA 1673/4885RPS6KB1 440/4885 |
“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.