SCHEMBL256359

SCHEMBL256359

Cn1ncc2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 7/20 0.43
CCNC P24863 6/20 0.43
MKNK2 Q9HBH9 1/20 0.40
ATM Q13315 1/20 0.40
CDC7 O00311 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
HASPIN Q8TF76 2/20 0.38
RPS6KA5 O75582 1/20 0.37
TRPA1 O75762 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7 P36402 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL29958837 1.00 CDK8 (0.43) CDK8CCNCMKNK2ATMCDC7
SCHEMBL256345 0.83 CCNC (0.40) CDK8CCNCATMCDC7TRPM5
SCHEMBL31298637 0.74 HDAC8 (0.37) MKNK2ATMCDC7HASPINHDAC8
SCHEMBL31298606 0.74 HDAC8 (0.40) MKNK2ATMCDC7HASPINHDAC8
SCHEMBL12775602 0.74 CYP17A1 (0.41) MKNK2ATMCDC7HASPINHDAC8
SCHEMBL16339750 0.74 HDAC8 (0.47) MKNK2ATMCDC7HASPINHDAC8
SCHEMBL19258536 0.74 HASPIN (0.53) MKNK2HASPINRPS6KA5HDAC8NPC1
SCHEMBL25952935 0.74 SLC6A2 (0.41) MKNK2ATMCDC7HASPINHDAC8
SCHEMBL47226 0.73 CYP1A2 (0.47) CDK8TRPA1NPC1TP53MAPT
SCHEMBL29487677 0.73 CYP1A2 (0.47) CDK8TRPA1NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2022-12-15 US disclosed
CN-115215886-A Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-10-21 CN disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 WO disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
EP-2210881-A1 Derivatives of syringolin A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-07-28 EP disclosed
WO-2010081731-A2 DERIVATIVES OF SYRINGOLIN A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2010-07-22 WO disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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 (7 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-11872225-B2 Pyruvate kinase modulators and use thereof PDK1, PDK2, PDK4 CDK8 545/4885CCNC 2590/4885MKNK2 124/4885
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 CDK8 3595/4885CCNC 1450/4885MKNK2 2965/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E CDK8 179/4885CCNC 2797/4885MKNK2 3803/4885
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 CDK8 374/4885CCNC 2751/4885MKNK2 244/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CDK8 657/4885CCNC 2496/4885MKNK2 2733/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CDK8 732/4885CCNC 2598/4885MKNK2 777/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CDK8 46/4885CCNC 395/4885MKNK2 303/4885

“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.