SCHEMBL12020135

SCHEMBL12020135

CCc1cnn(CC(=O)NC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAP4K1 Q92918 1/20 0.40
PDK2 Q15119 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
PLK1 P53350 2/20 0.37
MAP4K4 O95819 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
JAK3 P52333 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
SCHEMBL19116732 0.85 HTT (0.45) PDK2MAPTGAAPLK1L3MBTL1
SCHEMBL26714461 0.82 L3MBTL1 (0.39) MAPTGAAL3MBTL1MAPK1TSHR
SCHEMBL10264110 0.82 L3MBTL1 (0.42) PDK2MAPTGAAL3MBTL1MAPK1
SCHEMBL12504043 0.81 GAA (0.43) MAPTGAAL3MBTL1MAPK1TSHR
SCHEMBL19020680 0.81 ERCC5 (0.42) PDK2MAPTGAAL3MBTL1TSHR
SCHEMBL10084730 0.79 ALPI (0.51) CCNCCDK8PDK2MAPTGAA
SCHEMBL10264658 0.78 TSHR (0.43) MAPTGAAL3MBTL1MAPK1TSHR
SCHEMBL12020134 0.78 CCNC (0.44) CCNCCDK8PDK2L3MBTL1JAK3
SCHEMBL11918938 0.78 GAA (0.46) MAPTGAATSHRTP53
SCHEMBL23011679 0.77 CCNC (0.43) CCNCCDK8MAP4K1PDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 EP disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 US disclosed
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC 2020-07-16 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 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 (5 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 CCNC 4216/4885CDK8 2491/4885MAP4K1 1231/4885
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 CCNC 1201/4885CDK8 201/4885MAP4K1 1548/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 CCNC 1920/4885CDK8 1601/4885MAP4K1 3540/4885
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF BRDT, BRD4, BRD3 CCNC 1201/4885CDK8 201/4885MAP4K1 1548/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CCNC 633/4885CDK8 227/4885MAP4K1 80/4885

“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.