SCHEMBL1204074

SCHEMBL1204074

CCOC(=O)CCN(c1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 15/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3547171 0.90 PIN1 (0.45) PIN1THRBMAPTKMT2AALDH1A1
SCHEMBL1203818 0.85 SMN1; SMN2 (0.45) SMN1; SMN2THRBMAPTKMT2AALDH1A1
SCHEMBL1202769 0.85 PIN1 (0.47) PIN1SMN1; SMN2KMT2AALDH1A1MAPK1
SCHEMBL4089261 0.83 PIN1 (0.43) PIN1MAPTALDH1A1
SCHEMBL14941630 0.79 PIN1 (0.44) PIN1SMN1; SMN2MAPTALDH1A1
SCHEMBL14941629 0.79 PIN1 (0.44) PIN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4079791 0.78 MAPT (0.37) PIN1SMN1; SMN2THRBMAPTKMT2A
SCHEMBL4079811 0.77 ALDH1A1 (0.39) PIN1SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL3547170 0.77 PIN1 (0.44) PIN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4080202 0.76 MAPT (0.32) PIN1THRBMAPTKMT2AALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 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
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 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-2205603-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2010-07-14 EP disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 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-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 PIN1 2175/4885SMN1; SMN2 4146/4885THRB 300/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PIN1 1021/4885SMN1; SMN2 3530/4885THRB 2003/4885

“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.