SCHEMBL5644064

SCHEMBL5644064

CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCNC2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
ADORA1 P30542 1/20 0.52
HTT P42858 1/20 0.48
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
CDK2 P24941 4/20 0.46
CCNA2 P20248 3/20 0.46
CCNA1 P78396 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ELANE P08246 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31597663 1.00 ALDH1A1 (0.61) ALDH1A1ADORA1HTTTP53LMNA
SCHEMBL31597684 0.91 ALDH1A1 (0.59) ALDH1A1ADORA1HTTTP53LMNA
SCHEMBL31597718 0.91 ALDH1A1 (0.59) ALDH1A1ADORA1HTTTP53LMNA
SCHEMBL17572347 0.86 ALDH1A1 (0.48) ALDH1A1ADORA1HTTTP53CDK2
SCHEMBL17572217 0.86 ALDH1A1 (0.45) ALDH1A1ADORA1HTTTP53CDK2
SCHEMBL20229672 0.86 CCNA2 (0.46) ALDH1A1ADORA1LMNACDK2CCNA2
SCHEMBL17454447 0.86 CCNA2 (0.49) ALDH1A1LMNACDK2CCNA2CCNA1
SCHEMBL17572364 0.85 CCNA2 (0.48) ALDH1A1TP53CDK2CCNA2CCNA1
SCHEMBL31597756 0.83 KDM4E (0.55) ALDH1A1LMNACDK2CCNA2CCNA1
SCHEMBL31597714 0.82 CCNA2 (0.62) ALDH1A1LMNACDK2CCNA2CCNA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 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 (2 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 ALDH1A1 54/4885ADORA1 1378/4885HTT 4604/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT ALDH1A1 2197/4885ADORA1 1847/4885HTT 1206/4885

“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.