SCHEMBL1202769

SCHEMBL1202769

CCOC(=O)CCN(Cc1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 12/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1203618 0.87 LTA4H (0.41) ALDH1A1MAPK1KMT2ATDP1LTA4H
SCHEMBL1204074 0.85 PIN1 (0.43) PIN1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL27847289 0.83 PIN1 (0.47) PIN1
SCHEMBL4077793 0.80 PIN1 (0.47) PIN1ALDH1A1
SCHEMBL2300832 0.78 PIN1 (0.46) PIN1ALDH1A1KMT2ALMNANPSR1
SCHEMBL4079791 0.77 MAPT (0.37) PIN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2295524 0.77 PIN1 (0.45) PIN1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL1918497 0.77 GSK3B (0.44) PIN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL4079811 0.77 ALDH1A1 (0.39) PIN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL27864469 0.76 PIN1 (0.47) PIN1ALDH1A1

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 27 patents — showing the first 20. 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
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
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-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US 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-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US 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
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US 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 (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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PIN1 792/4885ALDH1A1 1365/4885MAPK1 854/4885
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PIN1 2175/4885ALDH1A1 3626/4885MAPK1 98/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PIN1 1021/4885ALDH1A1 2608/4885MAPK1 266/4885

“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.