SCHEMBL1894052

SCHEMBL1894052

COC(=O)c1cnc2cn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.46
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC1 Q13547 1/20 0.41
TDO2 P48775 1/20 0.41
NAMPT P43490 1/20 0.41
PSMD14 O00487 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
HPGDS O60760 1/20 0.39
NTRK1 P04629 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL30174393 1.00 DYRK1A (0.46) DYRK1AMAPK1ATMTSHRKDM4E
SCHEMBL15290578 0.83 CYP2C9 (0.48) DYRK1AKDM4EALDH1A1KMT2ACA12
SCHEMBL4404967 0.81 DYRK1A (0.50) DYRK1AKDM4EHDAC1NAMPTALDH1A1
SCHEMBL1759261 0.80 DYRK1A (0.52) DYRK1AKDM4EHDAC1TDO2NAMPT
SCHEMBL4145078 0.77 DYRK1A (0.46) DYRK1AMAPK1HDAC1NAMPTHPGDS
SCHEMBL15116371 0.77 PSMD14 (0.49) MAPK1ATMTSHRKDM4EL3MBTL1
SCHEMBL2671386 0.76 PIK3C3 (0.47) DYRK1AMAPK1ATMKDM4EL3MBTL1
SCHEMBL29643878 0.74 MAOB (0.55) DYRK1AKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL347171 0.74 MAOB (0.55) DYRK1AKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL31071317 0.74 KDM4E (0.49) DYRK1AMAPK1ATMKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES Valo Health, LLC 2018-11-29 US disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 EP disclosed
WO-2013130943-A1 ALKYL-AND DI-SUBSTITUTED AMIDO-BENZYL SULFONAMIDE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
WO-2013130935-A1 AMIDO-BENZYL SULFOXIDE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US 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 (10 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-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 DYRK1A 3999/4885MAPK1 3923/4885ATM 2583/4885
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 DYRK1A 3999/4885MAPK1 3923/4885ATM 2583/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB DYRK1A 3950/4885MAPK1 1536/4885ATM 986/4885
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 DYRK1A 4311/4885MAPK1 3804/4885ATM 1348/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY DYRK1A 4689/4885MAPK1 3158/4885ATM 2202/4885
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 DYRK1A 3999/4885MAPK1 3923/4885ATM 2583/4885
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC DYRK1A 2727/4885MAPK1 2124/4885ATM 4848/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB DYRK1A 3950/4885MAPK1 1536/4885ATM 986/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 DYRK1A 3999/4885MAPK1 3923/4885ATM 2583/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB DYRK1A 3966/4885MAPK1 2120/4885ATM 793/4885

“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.