SCHEMBL1008954

SCHEMBL1008954

Cc1cc([N+](=O)[O-])nn1CC(C)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 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
SCHEMBL20555736 1.00 HTT (0.53) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL20555864 1.00 HTT (0.53) HTTMEN1KMT2AALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL29200867 0.87 HTT (0.52) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14917639 0.82 LMNA (0.47) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14926070 0.81 LMNA (0.46) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1058438 0.80 HTT (0.50) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL17627055 0.80 HTT (0.55) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14917955 0.79 LMNA (0.44) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2428998 0.78 HTT (0.56) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1008523 0.78 HTT (0.68) HTTMEN1KMT2AALDH1A1CYP1A2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476643-B Pyrazolylaminobenzimidazole derivatives as JAK inhibitors 伊莱利利公司 2021-06-08 — — CN disclosed
EP-3484875-B1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS LILLY CO ELI (US) 2021-04-07 — — EP disclosed
US-10344018-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors ELI LILLY AND COMPANY (US) 2019-07-09 — — US disclosed
US-10344018-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors ELI LILLY AND COMPANY (US) 2019-07-09 — — US disclosed
US-10323019-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors ELI LILLY AND COMPANY (US) 2019-06-18 — — US disclosed
US-10323019-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors ELI LILLY AND COMPANY (US) 2019-06-18 — — US disclosed
US-20190177300-A1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS LILLY CO ELI (US) 2019-06-13 — — US disclosed
US-20190177300-A1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS LILLY CO ELI (US) 2019-06-13 — — US disclosed
CN-109476643-A PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS 伊莱利利公司 2019-03-15 — — CN disclosed
US-20180325873-A1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS ELI LILLY AND COMPANY 2018-11-15 — — US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
CN-102007116-A Pyridazinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 — — CN disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 — — EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177300-A1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS JAK3, JAK2, JAK1 HTT 4017/4885MEN1 1122/4885KMT2A 1234/4885
US-10344018-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors JAK3, JAK2, JAK1 HTT 4017/4885MEN1 1122/4885KMT2A 1234/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK HTT 3381/4885MEN1 3170/4885KMT2A 3040/4885
US-20180325873-A1 PYRAZOLYLAMINOBENZIMIDAZOLE DERIVATIVES AS JAK INHIBITORS JAK3, JAK2, JAK1 HTT 4017/4885MEN1 1122/4885KMT2A 1234/4885
US-10323019-B2 Pyrazolylaminobenzimidazole derivatives as JAK inhibitors JAK3, JAK2, JAK1 HTT 4017/4885MEN1 1122/4885KMT2A 1234/4885

“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.

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