SCHEMBL5554833

SCHEMBL5554833

COC(=O)c1cc2c(Br)cnc(Cl)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
KDR P35968 1/20 0.42
PTPN2 P17706 1/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3A P49840 1/20 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
SCHEMBL30530680 1.00 CCNC (0.43) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL18889241 0.85 CCNC (0.43) CCNCCDK8CSNK2A1PTPN2PKM
SCHEMBL16650594 0.84 CSNK2A2 (0.43) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL5550169 0.83 MAP3K8 (0.43) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL16011544 0.81 CDK8 (0.57) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL30587256 0.79 CSNK2A2 (0.46) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL26116037 0.79 CSNK2A2 (0.46) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL5550168 0.78 CCNC (0.50) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL30714291 0.77 ALDH1A1 (0.41) CCNCCDK8CSNK2A2CSNK2BCSNK2A1
SCHEMBL7054268 0.76 CCNC (0.75) CCNCCDK8KDRICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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 (2 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 CCNC 981/4885CDK8 181/4885CSNK2A2 144/4885
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 CCNC 2490/4885CDK8 96/4885CSNK2A2 1385/4885

“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.