SCHEMBL1233405

SCHEMBL1233405

CC(C)(C)OC(=O)Nc1ccncc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
CYP17A1 P05093 4/20 0.45
RAB9A P51151 1/20 0.42
METAP1 P53582 1/20 0.40
BRS3 P32247 1/20 0.40
ATR Q13535 1/20 0.39
LATS1 O95835 2/20 0.37

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
SCHEMBL29950993 1.00 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL29955026 0.88 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL1233798 0.88 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL18522430 0.84 NAMPT (0.50) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL3666785 0.82 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL2107971 0.82 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL18832828 0.82 NAMPT (0.43) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL29957527 0.81 CYP17A1 (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL1197794 0.81 CYP17A1 (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL536056 0.81 NOD2 (0.50) NAMPTCYP17A1RAB9AMETAP1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850044-B1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING UNIV CHICAGO (US) 2017-05-17 EP claimed
EP-2850044-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING The University of Chicago (US) 2015-03-25 EP claimed
WO-2013173746-A2 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO (US) 2013-11-21 WO claimed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-20210017133-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING THE UNIVERSITY OF CHICAGO 2021-01-21 US disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-10442767-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging THE UNIVERSITY OF CHICAGO (US) 2019-10-15 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
WO-2007143526-A2 SUBSTITUTED TETRAHYDROIMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-12-13 WO disclosed
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
EP-1863770-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006121528-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-11-16 WO disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210017133-A1 USE OF FLUORINATED DERIVATIVES OF 4-AMINOPYRIDINE IN THERAPEUTICS AND MEDICAL IMAGING KCNQ4, KCNJ4, KCNQ2 NAMPT 3975/4885CYP17A1 4714/4885RAB9A 1390/4885
US-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NAMPT 2330/4885CYP17A1 193/4885RAB9A 438/4885
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 NAMPT 121/4885CYP17A1 4407/4885RAB9A 2019/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 NAMPT 329/4885CYP17A1 4645/4885RAB9A 1946/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 NAMPT 2351/4885CYP17A1 184/4885RAB9A 474/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 NAMPT 2330/4885CYP17A1 193/4885RAB9A 438/4885
US-10442767-B2 Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging KCNJ4, KCNQ4, KCNQ2 NAMPT 3874/4885CYP17A1 4883/4885RAB9A 1331/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 NAMPT 2351/4885CYP17A1 184/4885RAB9A 474/4885

“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.