SCHEMBL2669593

SCHEMBL2669593

Cc1cnc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MPI P34949 1/20 0.38
GPR35 Q9HC97 2/20 0.38
GAA P10253 1/20 0.38
PPIA P62937 1/20 0.38
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 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
SCHEMBL30749766 1.00 TSHR (0.43) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL29987444 0.98 TSHR (0.42) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL28602689 0.87 TSHR (0.36) TSHRALDH1A1CYP3A4RECQLSMN1; SMN2
SCHEMBL29390182 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL381803 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL3360541 0.80 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL12489778 0.80 TSHR (0.44) TSHRALDH1A1CYP3A4MAPTGPR35
SCHEMBL32681751 0.78 TSHR (0.42) TSHRALDH1A1CYP3A4MAPTGPR35
SCHEMBL21684665 0.77 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL28980019 0.77 PDE7A (0.41) TSHRALDH1A1CYP3A4MAPTGPR35

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-117069651-A Continuous synthesis method of 2-chloro-4-amino-5-methylpyridine 福建桦智工程技术有限公司 2023-11-17 CN claimed
CN-115340492-A Preparation method of 2-hydroxy-4-amino-5-methylpyridine 武汉海特生物创新医药研究有限公司 2022-11-15 CN claimed
CN-103193704-A 2-hydroxy-4-amino-5-methylpyridine heterocyclic compound SICHUAN BERARE BIOLOG MEDICAL CO LTD 2013-07-10 CN claimed
CN-117069651-A Continuous synthesis method of 2-chloro-4-amino-5-methylpyridine 福建桦智工程技术有限公司 2023-11-17 CN disclosed
CN-115340492-A Preparation method of 2-hydroxy-4-amino-5-methylpyridine 武汉海特生物创新医药研究有限公司 2022-11-15 CN disclosed
EP-2799434-B1 Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds VERTEX PHARMA (US) 2017-08-02 EP disclosed
US-20160362406-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC (US) 2016-12-15 US disclosed
EP-2799434-A1 Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds Vertex Pharmaceuticals Incorporated (US) 2014-11-05 EP disclosed
US-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US disclosed
CN-103193704-A 2-hydroxy-4-amino-5-methylpyridine heterocyclic compound SICHUAN BERARE BIOLOG MEDICAL CO LTD 2013-07-10 CN disclosed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
WO-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 WO disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (3 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-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 TSHR 1822/4885ALDH1A1 2442/4885CYP3A4 1438/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 TSHR 3256/4885ALDH1A1 820/4885CYP3A4 2492/4885
US-20160362406-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 TSHR 1261/4885ALDH1A1 714/4885CYP3A4 3702/4885

“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.