SCHEMBL15063993

SCHEMBL15063993

N#Cc1c(-c2cccc([N+](=O)[O-])c2)nsc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.53
WDR5 P61964 1/20 0.53
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
PKM P14618 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PSMB8 P28062 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE4D Q08499 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.43
DDX3X O00571 1/20 0.42
TSHR P16473 1/20 0.40
ADORA1 P30542 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
SCHEMBL4468508 0.84 ALDH1A1 (0.46) MGAMGAASIPKMMGAM2
SCHEMBL15063762 0.81 KDR (0.61) MYCWDR5MGAMGAASI
SCHEMBL5501424 0.78 LMNA (0.54) MYCWDR5MGAMGAASI
SCHEMBL5150675 0.76 ADORA1 (0.56) ADORA1
SCHEMBL18513462 0.75 KDR (0.38) ALDH1A1MEN1KMT2AMAPTADORA1
SCHEMBL18513465 0.74 KDR (0.66) ADORA1
SCHEMBL12679739 0.73 TSHR (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14974336 0.72 MAPT (0.47) MYCWDR5MGAMGAASI
SCHEMBL4419984 0.72 MYC (0.51) MYCWDR5MGAMGAASI
SCHEMBL4898155 0.72 MYC (0.45) MYCWDR5ALDH1A1SMN1; SMN2NPC1

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 10 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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130172353-A1 3-PHENYL-5-UREIDOISOTHIAZOLE-4-CARBOXIMIDE AND 3-AMINO-5-PHENYLISOTHIAZOLE DERIVATIVES AS KINASE INHIBITORS REN, JAK2, FGFR1 MYC 1576/4885WDR5 934/4885MGAM 3123/4885

“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.