SCHEMBL15069718

SCHEMBL15069718

NC(=O)c1c(N)nsc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
PDGFRB P09619 1/20 0.47
TDO2 P48775 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
GRM6 O15303 2/20 0.40
IKBKB O14920 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
BTK Q06187 1/20 0.39
MAP2K3 P46734 1/20 0.39
CDC7 O00311 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BCAT2 O15382 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL27545513 0.85 KDM4E (0.49) KDRPDGFRBTDO2KMT2AGAA
SCHEMBL28306048 0.81 CASP1 (0.43) KDRTDO2MEN1KMT2AGAA
SCHEMBL15069721 0.74 KDR (0.64) KDRPDGFRBMEN1KMT2AGAA
SCHEMBL11156557 0.71 KDM4E (0.51) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL20027633 0.70 HPGD (0.44) MEN1KMT2AGAAGRM6CYP1A2
SCHEMBL3355557 0.70 KDM4E (0.42) MEN1KMT2AGAAGRM6CYP1A2
SCHEMBL20665498 0.69 GRM6 (0.62) MEN1KMT2AGAAGRM6IKBKB
SCHEMBL27532017 0.68 KDM4E (0.39) KDRMEN1KMT2AGAAGRM6
SCHEMBL2346052 0.68 DHODH (0.46) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL4099130 0.68 GRM6 (0.74) MEN1KMT2AGAAGRM6IKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 KDR 30/4885PDGFRB 12/4885TDO2 4013/4885

“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.