SCHEMBL9963246

SCHEMBL9963246

CC(C)N1CCC2(CC1)NCNC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
FPR2 P25090 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20444438 0.83 CCNC (0.33) CCNCCDK8CDK19KDM4EFPR2
SCHEMBL9950277 0.79 NEK2 (0.43) CCNCCDK8CDK19KDM4EOPRM1
SCHEMBL18347987 0.77 CHRNB2 (0.38) CCNCCDK8CDK19FPR2OPRD1
SCHEMBL26460801 0.76 OTUD7B (0.51) CYP2D6CDK8CDK19ALDH1A1KMT2A
SCHEMBL7883805 0.73 CRBN (0.45) CYP2D6
SCHEMBL20444305 0.73 OPRM1 (0.33) CCNCCDK8CDK19OPRM1OPRD1
SCHEMBL16903847 0.71 CYP2D6 (0.36) CYP2D6ALDH1A1KMT2AMAPTKDM4E
SCHEMBL16559765 0.70 CYP2D6 (0.38) CYP2D6ALDH1A1KMT2AMAPTKDM4E
SCHEMBL3987977 0.70 GAA (0.40) CCNCCDK8CDK19ALDH1A1KDM4E
SCHEMBL13541902 0.70 CYP2D6 (0.35) CYP2D6ALDH1A1KMT2AMAPTKDM4E

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
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
WO-2018136202-A2 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-07-26 WO disclosed
US-9975888-B2 Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 US disclosed
US-7645762-B2 Substituted pyrazolo[1,5-a] pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-01-12 US disclosed
US-7642266-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-01-05 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 US disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082901-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 US disclosed
US-20070082902-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 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 (9 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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 CYP2D6 1202/4885CCNC 54/4885CDK8 1/4885
US-20070082901-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 CYP2D6 2786/4885CCNC 446/4885CDK8 38/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CYP2D6 4363/4885CCNC 615/4885CDK8 133/4885
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 CYP2D6 2807/4885CCNC 449/4885CDK8 40/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CYP2D6 4363/4885CCNC 615/4885CDK8 133/4885
US-20070082902-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 CYP2D6 2786/4885CCNC 446/4885CDK8 38/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP2D6 1147/4885CCNC 3667/4885CDK8 4257/4885
US-20160297809-A1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A5, CYP3A4 CYP2D6 11/4885CCNC 2166/4885CDK8 1064/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 CYP2D6 1202/4885CCNC 54/4885CDK8 1/4885

“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.