SCHEMBL1204079

SCHEMBL1204079

CN1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
CD274 Q9NZQ7 1/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 4/20 0.51
SLC6A5 Q9Y345 3/20 0.50
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ATR Q13535 1/20 0.46
DRD2 P14416 2/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL3667398 0.90 NAMPT (0.54) NAMPTCD274KMT2AMEN1
SCHEMBL25680863 0.87 NPC1 (0.55) NAMPTCD274KMT2AMEN1
SCHEMBL23336375 0.86 NPC1 (0.57) NAMPTKMT2AMEN1
SCHEMBL30002577 0.82 HDAC1 (0.47) NAMPTKMT2ASLC6A5HDAC4HDAC6
SCHEMBL12879808 0.82 L3MBTL1 (0.61) NAMPTKMT2AMEN1SLC6A5HDAC4
SCHEMBL8769824 0.79 NAMPT (0.56) NAMPTCD274KMT2AMEN1HDAC6
SCHEMBL19144230 0.79 CD274 (0.46) NAMPTCD274KMT2AMEN1HDAC4
SCHEMBL12139819 0.79 MEN1 (0.67) KMT2AMEN1SLC6A5HDAC4HDAC6
SCHEMBL14980511 0.79 KMT2A (0.53) NAMPTKMT2AMEN1SLC6A5HDAC4
SCHEMBL3400767 0.77 EPHX2 (0.60) NAMPTCD274KMT2AMEN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US claimed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP claimed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 EP disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
EP-2205603-B1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2014-01-15 EP disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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 (4 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 NAMPT 1234/4885CD274 889/4885KMT2A 452/4885
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 NAMPT 1618/4885CD274 4496/4885KMT2A 2380/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 NAMPT 1528/4885CD274 4420/4885KMT2A 2388/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 NAMPT 438/4885CD274 2530/4885KMT2A 2411/4885

“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.