SCHEMBL4667331

SCHEMBL4667331

NC(=O)Cn1cc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL2011250 0.85 LMNA (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL12304883 0.83 LMNA (0.56) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL27922272 0.83 SMN1; SMN2 (0.47) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL27807996 0.81 LMNA (0.54) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL14663780 0.81 POLB (0.61) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL14663614 0.80 POLB (0.56) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1703134 0.80 LMNA (0.56) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL31174104 0.79 LMNA (0.48) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28848234 0.79 ALDH1A1 (0.50) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL15547624 0.77 POLB (0.57) LMNAMAPTPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654605-B Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-22 CN disclosed
US-20220348572-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2022-11-03 US disclosed
EP-4011865-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2022-06-15 EP disclosed
CN-112654605-A Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2021-04-13 CN disclosed
WO-2021027647-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2021-02-18 WO disclosed
CN-103781780-B As the heterocyclyl pyrimidines analogue of JAK inhibitor CELLZOME LTD. (GB) 2015-11-25 CN disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 US disclosed
EP-2736901-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2014-06-04 EP disclosed
CN-103781780-A Heterocyclyl pyrimidine analogues as JAK inhibitors CELLZOME LTD 2014-05-07 CN disclosed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 WO disclosed
US-20080269500-A1 Process for the Preparation of 4-Aminopyrazole Derivatives ASTRAZENECA AB (SE) 2008-10-30 US disclosed
CN-101268056-A Process for preparing 4-aminopyrazole derivative ASTRAZENECA AB (SE) 2008-09-17 CN disclosed
EP-1931639-A2 PROCESS Astra Zeneca AB (SE) 2008-06-18 EP disclosed
WO-2007034183-A2 PROCESS FOR THE PREPARATION OF 4-AMINOPYRAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-03-29 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 LMNA 4817/4885MAPT 4232/4885POLB 3863/4885
US-20220348572-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF TYK2, JAK1, JAK2 LMNA 3975/4885MAPT 3395/4885POLB 1999/4885
US-20080269500-A1 Process for the Preparation of 4-Aminopyrazole Derivatives CYP3A4, CYP3A43, CYP3A5 LMNA 1834/4885MAPT 2108/4885POLB 1905/4885

“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.