SCHEMBL4474269

SCHEMBL4474269

N#CC(C#N)=C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.53
CES1 P23141 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CES2 O00748 1/20 0.50
SRD5A2 P31213 1/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MMP14 P50281 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.45
OPRK1 P41145 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
SCHEMBL4472665 0.80 TSHR (0.56) TDP1TSHRCES1CA1CA2
SCHEMBL1702849 0.80 MAPK1 (0.56) TDP1TSHRCES1CA1CA2
SCHEMBL4485881 0.80 ALDH1A1 (0.56) TDP1TSHRCES1CA1CA2
SCHEMBL9791325 0.79 EGFR (0.56) TSHRCA1CA2LMNAALDH1A1
SCHEMBL19048616 0.78 TDP1 (0.47) TDP1TSHRCES1CA1CA2
SCHEMBL7918197 0.77 CES1 (0.61) TDP1TSHRCES1CA1CA2
SCHEMBL4468183 0.76 ESR1 (0.57) TDP1TSHRCES1CA1CA2
SCHEMBL8125164 0.76 MAPK1 (0.47) TDP1TSHRCES1CA1CA2
SCHEMBL1319438 0.76 MAPT (0.48) TDP1TSHRCES1CA1CA2
SCHEMBL4399847 0.76 CES1 (0.53) TDP1TSHRCES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184525-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-10-28 EP disclosed
EP-3184525-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-10-28 EP disclosed
EP-3184525-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CABOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2017-06-28 EP disclosed
EP-3184525-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CABOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2017-06-28 EP disclosed
EP-2797916-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-02-15 EP disclosed
EP-2797916-B1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-02-15 EP disclosed
US-8969583-B2 3-phenyl-5-ureidoisothiazole-4-carboximide and 3-amino-5-phenylisothiazole derivatives as kinase inhibitors ALLERGAN, INC. (US) 2015-03-03 US disclosed
US-8969583-B2 3-phenyl-5-ureidoisothiazole-4-carboximide and 3-amino-5-phenylisothiazole derivatives as kinase inhibitors ALLERGAN, INC. (US) 2015-03-03 US disclosed
US-8969583-B2 3-phenyl-5-ureidoisothiazole-4-carboximide and 3-amino-5-phenylisothiazole derivatives as kinase inhibitors ALLERGAN, INC. (US) 2015-03-03 US disclosed
EP-2797916-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2014-11-05 EP disclosed
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 US disclosed
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 US disclosed
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 US disclosed
WO-2013101954-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 WO disclosed
WO-2013101954-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2013-07-04 WO disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK TDP1 613/4885TSHR 2014/4885CES1 2125/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 TDP1 787/4885TSHR 1514/4885CES1 2942/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK TDP1 613/4885TSHR 2014/4885CES1 2125/4885
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS REN, JAK2, FGFR1 TDP1 3921/4885TSHR 618/4885CES1 3343/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK TDP1 653/4885TSHR 2171/4885CES1 2190/4885

“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.