SCHEMBL4487191

SCHEMBL4487191

N#C/C(C(N)=S)=C(\N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES1 P23141 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MMP14 P50281 1/20 0.41
CES2 O00748 1/20 0.40
PLAU P00749 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL4487195 1.00 TDP1 (0.51) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL4487187 1.00 TDP1 (0.51) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL28811226 0.84 TSHR (0.54) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL4472665 0.80 TSHR (0.56) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL28811233 0.80 TSHR (0.49) TDP1MAPK1MEN1KMT2ATSHR
SCHEMBL454757 0.78 MEN1 (0.48) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL454758 0.78 MEN1 (0.48) TDP1MAPK1MEN1KMT2ANPSR1
SCHEMBL28812255 0.76 TSHR (0.45) TDP1MAPK1MEN1KMT2ATSHR
SCHEMBL26188701 0.76 MAPT (0.62) MAPK1MEN1KMT2ATSHRLMNA
SCHEMBL18964943 0.75 ALDH1A1 (0.38) TDP1MAPK1MEN1KMT2ALMNA

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 16 patents. 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-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
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-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 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
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
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP 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
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO 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 613/4885MAPK1 212/4885MEN1 3298/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 TDP1 787/4885MAPK1 436/4885MEN1 3714/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK TDP1 613/4885MAPK1 212/4885MEN1 3298/4885
US-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS REN, JAK2, FGFR1 TDP1 3921/4885MAPK1 31/4885MEN1 1760/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK TDP1 653/4885MAPK1 185/4885MEN1 3297/4885

“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.