SCHEMBL2210341

SCHEMBL2210341

COC(=O)c1nn(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 4/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL2516609 0.81 ADORA2A (0.55) NPSR1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL985062 0.81 KMT2A (0.59) CNR2KMT2AGLAKDM4EALDH1A1
SCHEMBL4443917 0.81 CNR2 (0.47) CNR2NPSR1KMT2AGLAKDM4E
SCHEMBL19256695 0.80 CYP2C9 (0.38) CNR2NPSR1KMT2AALDH1A1GAA
SCHEMBL15277592 0.79 CNR2 (0.46) CNR2NPSR1KMT2AGLAKDM4E
SCHEMBL9948309 0.79 SMN1; SMN2 (0.51) CNR2NPSR1KMT2AKDM4EALDH1A1
SCHEMBL1879910 0.79 CNR2 (0.46) CNR2NPSR1KMT2AGLAKDM4E
SCHEMBL21960946 0.78 CNR2 (0.55) CNR2NPSR1KMT2AGLAKDM4E
SCHEMBL13469111 0.78 CNR2 (0.45) CNR2NPSR1KMT2AGLAKDM4E
Hydrochloric Acid SCHEMBL18209694 0.78 CNR2 (0.45) CNR2NPSR1KMT2AGLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536884-B Synthesis of MCL-1 inhibitors 阿斯利康(瑞典)有限公司 2023-05-02 CN disclosed
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
WO-2020011246-A1 BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广州丹康医药生物有限公司 2020-01-16 WO disclosed
US-9226505-B2 4-substituted 1-phenylpyrazole-3-carboxylic acid derivatives as agents against abiotic plant stress BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140329684-A1 USE OF 4-SUBSTITUTED 1-PHENYLPYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGENTS AGAINST ABIOTIC PLANT STRESS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
WO-2013041602-A1 USE OF 4-SUBSTITUTED 1-PHENYL-PYRAZOLE-3-CARBOXYLIC-ACID DERIVATIVES AS AGENTS AGAINST ABIOTIC PLANT STRESS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 WO disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
EP-2510786-A1 Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives Bayer CropScience AG (DE) 2012-10-17 EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-1711471-A1 PYRAZOLE COMPOUNDS AND USE THEREOF IN NOXIOUS ARTHROPOD PESTS CONTROLLING COMPOSITION Sumitomo Chemical Company, Limited (JP) 2006-10-18 EP disclosed
WO-2005075433-A1 PYRAZOLE COMPOUNDS AND USE THEREOF IN NOXIOUS ARTHROPOD PESTS CONTROLLING COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-18 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-20140329684-A1 USE OF 4-SUBSTITUTED 1-PHENYLPYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGENTS AGAINST ABIOTIC PLANT STRESS HPD, HSF1, PDK4 CNR2 1554/4885NPSR1 3434/4885KMT2A 3357/4885
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA CNR2 4302/4885NPSR1 4528/4885KMT2A 3601/4885
US-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 CNR2 2339/4885NPSR1 3199/4885KMT2A 710/4885
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE CNR2 4323/4885NPSR1 3977/4885KMT2A 1706/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CNR2 42/4885NPSR1 329/4885KMT2A 1236/4885

“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.