SCHEMBL12020134

SCHEMBL12020134

CCc1cnn(CC(=O)N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.44
CDK8 P49336 11/20 0.44
FLT3 P36888 1/20 0.44
MYLK Q15746 1/20 0.44
AURKB Q96GD4 1/20 0.44
CILK1 Q9UPZ9 1/20 0.44
CDK11A Q9UQ88 1/20 0.44
PDK2 Q15119 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
GRIN2B Q13224 3/20 0.39
FGFR3 P22607 1/20 0.38
ERCC5 P28715 1/20 0.38
ALOX5AP P20292 1/20 0.36
SLC6A3 Q01959 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL18390185 0.84 PDK2 (0.44) CCNCCDK8FLT3MYLKAURKB
SCHEMBL10264110 0.81 L3MBTL1 (0.42) PDK2L3MBTL1
SCHEMBL26714461 0.81 L3MBTL1 (0.39) L3MBTL1
SCHEMBL19020680 0.79 ERCC5 (0.42) PDK2ERCC5L3MBTL1
SCHEMBL10044956 0.79 ALPI (0.50) CCNCCDK8FLT3MYLKAURKB
SCHEMBL18623452 0.79 GSK3A (0.44) JAK2JAK1TYK2JAK3
SCHEMBL12020135 0.78 CCNC (0.42) CCNCCDK8PDK2JAK3L3MBTL1
SCHEMBL1703729 0.78 CCNC (0.45) CCNCCDK8FLT3MYLKAURKB
SCHEMBL12492720 0.78 CCNC (0.45) CCNCCDK8FLT3MYLKAURKB
SCHEMBL17605207 0.78 CCNC (0.47) CCNCCDK8FLT3MYLKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884874-B2 Bromodomain-inhibiting compounds and pharmaceutical composition comprising same for preventing or treating a cancer KAINOS MEDICINE, INC. (KR) 2018-02-06 US disclosed
US-20170174702-A1 BROMODOMAIN-INHIBITING COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING A CANCER KAINOS MEDICINE, INC. (KR) 2017-06-22 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170174702-A1 BROMODOMAIN-INHIBITING COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING A CANCER BRDT, BRD4, BAZ2A CCNC 208/4885CDK8 153/4885FLT3 1946/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 CCNC 1920/4885CDK8 1601/4885FLT3 627/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CCNC 633/4885CDK8 227/4885FLT3 215/4885

“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.