SCHEMBL882674

SCHEMBL882674

CC(=O)c1ccnc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ROCK1 Q13464 4/20 0.41
KDM4E B2RXH2 1/20 0.39
KDM5A P29375 1/20 0.39
JMJD1C Q15652 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
AURKA O14965 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA2A P29274 1/20 0.38
NUDT1 P36639 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTK2 Q05397 1/20 0.38
CDC7 O00311 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2606614 0.81 ROCK1 (0.49) ROCK1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL1457909 0.81 KDM4E (0.58) ALDH1A1ROCK1KDM4EKDM5AJMJD1C
SCHEMBL13465946 0.79 HRH4 (0.38) ROCK1HSP90AA1HRH4AURKAPRKACA
SCHEMBL1789196 0.79 ROCK1 (0.55) ALDH1A1ROCK1KDM4EKDM5AJMJD1C
SCHEMBL16572967 0.79 PTPN11 (0.45) ROCK1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL2034194 0.79 TLR8 (0.44) ROCK1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL882664 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL3590598 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL1256533 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A
SCHEMBL3590602 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AJMJD1CKDM3A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 CN disclosed
CN-104470924-B Imidazopyrazines derivant as TNF active regulator UCB生物制药私人有限公司 2016-11-09 CN disclosed
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
EP-2516397-B1 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME (NL) 2016-07-13 EP disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-8952001-B2 Amino-heteroaryl derivatives as HCN blockers MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 WO disclosed
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 WO disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
EP-1660475-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 WO disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK ALDH1A1 1562/4885ROCK1 1420/4885KDM4E 959/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 ALDH1A1 540/4885ROCK1 2635/4885KDM4E 1794/4885
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 ALDH1A1 2700/4885ROCK1 1823/4885KDM4E 4216/4885
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 ALDH1A1 2860/4885ROCK1 299/4885KDM4E 675/4885

“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.