SCHEMBL398537

SCHEMBL398537

NC(=O)N(c1ccccc1)n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ELANE P08246 2/20 0.34
PDE4B Q07343 2/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
NOS1 P29475 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL2200339 0.88 NPSR1 (0.38) NPSR1ELANEPDE4BLMNAKDM4E
SCHEMBL27712800 0.83 ELANE (0.37) NPSR1ELANEPDE4BLMNAKDM4E
SCHEMBL10912473 0.79 CYP19A1 (0.38) NPSR1LMNAKDM4EKMT2AALDH1A1
SCHEMBL1978917 0.76 NPC1 (0.41) LMNAKDM4EKMT2AALDH1A1CYP3A4
SCHEMBL4690137 0.74 TSHR (0.36) LMNAKDM4EALDH1A1L3MBTL1THRB
SCHEMBL28121589 0.73 NPSR1 (0.40) NPSR1LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL16586724 0.72 NOTUM (0.41) NPSR1KDM4EKMT2APOLBBLM
SCHEMBL28386193 0.72 TSHR (0.41) KDM4EKMT2AALDH1A1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL28441776 0.71 TSHR (0.40) KDM4EKMT2AL3MBTL1TSHRCYP3A4
Hydrochloric Acid SCHEMBL28826990 0.71 TSHR (0.40) KDM4EKMT2AL3MBTL1TSHRCYP3A4

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 14 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
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
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 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 4479/4885ELANE 2701/4885PDE4B 1259/4885
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL NPSR1 4492/4885ELANE 2658/4885PDE4B 1205/4885

“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.