SCHEMBL398536

SCHEMBL398536

NC(=O)N(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL4458935 0.86 NPSR1 (0.47) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL6905225 0.83 KMT2A (0.46) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL3424139 0.81 SMN1; SMN2 (0.44) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL5141689 0.80 NPSR1 (0.46) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL402771 0.80 NPSR1 (0.41) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL400582 0.79 NPSR1 (0.44) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL10912480 0.77 NPSR1 (0.41) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL75883 0.77 NPSR1 (0.64) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL75885 0.77 NPSR1 (0.64) NPSR1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL28148401 0.77 NPSR1 (0.64) NPSR1ALDH1A1ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 US disclosed
CN-109476669-A Lim kinase inhibitor 富荣吉有限责任公司 2019-03-15 CN disclosed
WO-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 WO disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 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
CN-101679362-A 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 cance BAYER PHARMACEUTICALS CORP 2010-03-24 CN 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
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 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
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (4 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 4479/4885ALDH1A1 345/4885ATM 2450/4885
US-20100150863-A1 HYDROXY METHYL PHENYL PYRAZOLYL UREA COMPOUND USEFUL IN TREATMENT OF CANCER TP53, MGMT, VHL NPSR1 4492/4885ALDH1A1 983/4885ATM 867/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 NPSR1 3767/4885ALDH1A1 3244/4885ATM 555/4885
US-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 NPSR1 4409/4885ALDH1A1 4562/4885ATM 989/4885

“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.