SCHEMBL9926426

SCHEMBL9926426

CCOC(=O)c1cc(C(=O)OCC)n(CCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.39
BRD4 O60885 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.38
STING1 Q86WV6 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
DYRK1A Q13627 1/20 0.37
DRD2 P14416 2/20 0.36

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
SCHEMBL16270149 0.88 ADORA3 (0.40) ADORA3ADORA2ASMN1; SMN2KDM4EMAPT
SCHEMBL24276762 0.87 ADORA3 (0.40) ADORA3ADORA2ASMN1; SMN2KDM4EMAPT
SCHEMBL24213262 0.87 DRD2 (0.41) BRD4ALDH1A1CCNCCDK8GFER
SCHEMBL27341116 0.85 HPGD (0.43) ADORA3ADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL31459552 0.84 GAA (0.41) ADORA3ADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL25169810 0.84 FAAH (0.39) ADORA3ADORA2ASMN1; SMN2KDM4EMAPT
SCHEMBL27341129 0.83 ADORA3 (0.37) ADORA3ADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL20141716 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL16270159 0.83 ADORA3 (0.39) ADORA3ADORA2AKDM4EMAPTBRD4
SCHEMBL18187532 0.82 ALDH1A1 (0.45) ADORA3ADORA2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479831-B2 Substituted N(-methyl-D3)pyridazine-3-carboxamide or M-(methyl-D3)-nicotinamide compounds as IL-12, IL-23 and/or IFNα modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-25 US disclosed
US-20240383868-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-11-21 US disclosed
CN-118434744-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-08-02 CN disclosed
US-20240034723-A1 PIPERIDINYL SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-01 US disclosed
EP-4294790-A1 SMARCA DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-12-27 EP disclosed
CN-116669769-A Piperidinyl small molecule degradants of HELIOS and methods of use 达纳-法伯癌症研究所公司 2023-08-29 CN disclosed
EP-4228651-A1 PIPERIDINYL SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-08-23 EP disclosed
US-20230167092-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2023-06-01 US disclosed
EP-4143180-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS Bristol-Myers Squibb Company (US) 2023-03-08 EP disclosed
CN-115715287-A Substituted N- (methyl-d 3) pyridazine-3-carboxamide or N- (methyl-d 3) -nicotinamide compounds as IL-12, IL-23 and/or IFN alpha modulators 百时美施贵宝公司 2023-02-24 CN disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2014-07-31 US disclosed
US-8703946-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-04-22 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 WO disclosed
WO-2012078817-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-14 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 (6 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-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A ADORA3 131/4885ADORA2A 198/4885SMN1; SMN2 2660/4885
US-20230167092-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS JAK3, TYK2, IRAK3 ADORA3 290/4885ADORA2A 1378/4885SMN1; SMN2 2161/4885
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 ADORA3 120/4885ADORA2A 133/4885SMN1; SMN2 2961/4885
US-12479831-B2 Substituted N(-methyl-D3)pyridazine-3-carboxamide or M-(methyl-D3)-nicotinamide compounds as IL-12, IL-23 and/or IFNα modulators TYK2, IRAK3, JAK3 ADORA3 324/4885ADORA2A 1208/4885SMN1; SMN2 1878/4885
US-20240383868-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 ADORA3 3738/4885ADORA2A 3263/4885SMN1; SMN2 716/4885
US-20240034723-A1 PIPERIDINYL SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 ADORA3 4616/4885ADORA2A 4533/4885SMN1; SMN2 243/4885

“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.