SCHEMBL14007017

SCHEMBL14007017

Cc1nc2c(C)cccn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
PDE10A Q9Y233 6/20 0.43
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HSD17B10 Q99714 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
GLA P06280 1/20 0.38
ATM Q13315 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
SCHEMBL16565475 0.82 AHR (0.54) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL23840318 0.80 JAK2 (0.40) JAK2JAK3PTK2KDM4EALDH1A1
SCHEMBL23642651 0.80 CYP11B2 (0.47) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL2640521 0.80 JAK2 (0.54) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL20605113 0.80 JAK2 (0.44) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL13112326 0.80 JAK2 (0.44) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL23030108 0.77 JAK2 (0.56) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL15459494 0.77 JAK2 (0.43) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL24857423 0.77 KDM4E (0.35) JAK2JAK3PTK2PDE10AKDM4E
SCHEMBL10271981 0.77 PDE10A (0.51) JAK2JAK3PTK2PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 EP disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 WO disclosed
US-20180179209-A1 JAK INHIBITORS Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-06-28 US disclosed
US-20180179209-A1 JAK INHIBITORS Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-06-28 US disclosed
US-9994590-B2 Substituted [1,2,4]triazolo[1,5-a]pyrazines as phosphodiesterase inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20170037060-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2017-02-09 US disclosed
US-9505751-B2 Substituted [1,2,4]triazolo[1,5-a]pyrazines as phosphodiesterase inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2016-11-29 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150322090-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-11-12 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 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 (11 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-20150322090-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN JAK2 298/4885JAK3 1229/4885PTK2 3227/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 JAK2 3535/4885JAK3 3877/4885PTK2 3244/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 312/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 JAK2 3535/4885JAK3 3877/4885PTK2 3244/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 JAK2 3535/4885JAK3 3877/4885PTK2 3244/4885
US-20180179209-A1 JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PTK2 315/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 JAK2 3535/4885JAK3 3877/4885PTK2 3244/4885
US-20170037060-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN JAK2 298/4885JAK3 1229/4885PTK2 3227/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 JAK2 3535/4885JAK3 3877/4885PTK2 3244/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 JAK2 972/4885JAK3 652/4885PTK2 2720/4885
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 JAK2 2312/4885JAK3 3779/4885PTK2 2926/4885

“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.