SCHEMBL1137124

SCHEMBL1137124

NC(=O)c1cc(Oc2ccc(N)c(Cl)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.53
P2RX3 P56373 7/20 0.44
SCN9A Q15858 1/20 0.43
CHEK2 O96017 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BRAF P15056 2/20 0.41
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDR P35968 2/20 0.39

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
SCHEMBL2473816 0.89 KMO (0.50) RAF1P2RX3CYP4F2CYP4A11KDR
SCHEMBL9926361 0.84 RAF1 (0.52) RAF1P2RX3SCN9ACHEK2BRAF
SCHEMBL619670 0.84 KDR (0.58) RAF1BRAFOPRK1KDR
SCHEMBL400969 0.83 RAF1 (0.47) RAF1P2RX3SCN9ABRAFKDR
SCHEMBL4328009 0.83 RAF1 (0.49) RAF1P2RX3BRAFKDR
SCHEMBL17242259 0.82 SCN9A (0.43) RAF1P2RX3SCN9ACHEK2
SCHEMBL177841 0.82 PARP10 (0.54) RAF1P2RX3CHEK2BRAFOPRK1
SCHEMBL4359684 0.81 RAF1 (0.46) RAF1P2RX3BRAFOPRK1KCNH2
SCHEMBL1137294 0.80 RAF1 (0.58) RAF1SCN9ABRAFOPRK1KDR
SCHEMBL4369342 0.79 PARP10 (0.54) RAF1P2RX3CYP4F2CYP4A11BRAF

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2879676-B1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2017-06-14 EP disclosed
EP-2879677-B1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2017-06-14 EP disclosed
CN-103565653-B Substituted pyrazolone compound as well as using method and application of pyrazolone compound 广东东阳光药业有限公司 2017-01-25 CN disclosed
US-9326975-B2 Substituted pyrazolone compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-05-03 US disclosed
EP-2879676-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2015-06-10 EP disclosed
EP-2879677-A2 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2015-06-10 EP disclosed
US-20150141463-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 US disclosed
US-8975282-B2 Substituted pyrazolone compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-10 US disclosed
US-8969388-B1 Substituted pyrazolone compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-03 US disclosed
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-02-19 US disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 US disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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 (5 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 RAF1 1822/4885P2RX3 3215/4885SCN9A 4727/4885
US-20150141463-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC RAF1 10/4885P2RX3 1385/4885SCN9A 4753/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF RAF1 145/4885P2RX3 692/4885SCN9A 1992/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 RAF1 142/4885P2RX3 3287/4885SCN9A 4354/4885
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC RAF1 10/4885P2RX3 1385/4885SCN9A 4753/4885

“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.