SCHEMBL400582

SCHEMBL400582

CN(O)C(=O)N(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.44
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGIR P43119 1/20 0.36
KMT2A Q03164 5/20 0.35
TSHR P16473 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL5141689 0.89 NPSR1 (0.46) NPSR1ATMTDP1L3MBTL1PTGIR
SCHEMBL6905225 0.82 KMT2A (0.46) NPSR1ATMTDP1L3MBTL1KMT2A
SCHEMBL4458935 0.82 NPSR1 (0.47) NPSR1ATMTDP1L3MBTL1KMT2A
SCHEMBL398536 0.79 NPSR1 (0.44) NPSR1ATMTDP1L3MBTL1PTGIR
SCHEMBL3424139 0.78 SMN1; SMN2 (0.44) NPSR1ATMTDP1L3MBTL1KMT2A
SCHEMBL402771 0.76 NPSR1 (0.41) NPSR1ATMTDP1L3MBTL1PTGIR
SCHEMBL17674048 0.72 DHFR (0.42) KMT2AHTTMEN1
SCHEMBL4657473 0.72 ALDH1A1 (0.58) NPSR1L3MBTL1KMT2AALDH1A1POLB
SCHEMBL10510080 0.71 NPC1 (0.34) KMT2AHTTRAB9ANPC1KDM4E
SCHEMBL2404029 0.70 NPSR1 (0.45) NPSR1ATMTDP1L3MBTL1KMT2A

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
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US disclosed
US-8101773-B2 Hydroxy methyl phenyl pyrazolyl urea compounds useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-01-24 US disclosed
EP-2134677-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}CARBAMOYL)-AMINO]-3-CHLOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-10-12 EP disclosed
EP-2111401-B1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-02-16 EP disclosed
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2010-03-11 US disclosed
EP-2134677-A2 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL)PHENYL]-1H-PYRAZOL-5-YL}CARBAMOYL)-AMINO]-3-CHLOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-12-23 EP disclosed
EP-2111401-A1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-10-28 EP disclosed
WO-2008079968-A1 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO] -3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2008-07-03 WO disclosed
WO-2008079972-A2 4-{4- [ ({3-TERT-BUTYL-1- [3- (HYDROXYMETHYL) PHENYL] - 1H- PYRAZOL- 5 -YL } CARBAMOYL) -AMIN O] -3-CHLOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS AN INHIBITOR OF THE VEGFR KINASE FOR THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2008-07-03 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-20100063107-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUNDS USEFULL IN THE TREATMENT OF CANCER TP53, DOT1L, VHL NPSR1 4479/4885ATM 2450/4885TDP1 1199/4885
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL NPSR1 4492/4885ATM 867/4885TDP1 751/4885

“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.