SCHEMBL1137279

SCHEMBL1137279

NC(=O)c1cc(Oc2ccc(N)c(F)c2F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.42
▸ KDR P35968 1/20 0.42
▸ RAF1 P04049 4/20 0.41
▸ AXL P30530 1/20 0.39
▸ GCK P35557 2/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ SCN10A Q9Y5Y9 4/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ BRAF P15056 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PYGL P06737 1/20 0.35
▸ PYGM P11217 1/20 0.35

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
SCHEMBL6387886 0.85 KDR (0.50) METKDRRAF1AXLGCK
SCHEMBL1137174 0.81 MET (0.48) METKDRRAF1AXLGCK
SCHEMBL1137326 0.81 MET (0.44) METKDRRAF1AXLGCK
SCHEMBL400969 0.81 RAF1 (0.47) METKDRRAF1P2RX3GRM5
SCHEMBL1137144 0.80 RAF1 (0.40) METKDRRAF1AXLGCK
SCHEMBL1137088 0.80 NOS3 (0.47) METGCK
SCHEMBL1137123 0.78 KDR (0.42) METKDRRAF1AXLP2RX3
SCHEMBL105733 0.78 MET (0.44) METKDRRAF1AXLGCK
SCHEMBL29757310 0.78 GCK (0.56) METKDRRAF1AXLGCK
SCHEMBL1137603 0.78 GSK3A (0.44) METKDRRAF1AXLGCK

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 35 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
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
US-20150037280-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 — — US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 — — US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 — — US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — US disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 — — EP disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20150037280-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC MET 796/4885KDR 598/4885RAF1 10/4885
US-20150141463-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC MET 796/4885KDR 598/4885RAF1 10/4885
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 MET 162/4885KDR 472/4885RAF1 142/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 MET 162/4885KDR 472/4885RAF1 142/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 MET 2/4885KDR 8/4885RAF1 221/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF MET 2/4885KDR 9/4885RAF1 223/4885
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC MET 796/4885KDR 598/4885RAF1 10/4885

“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.

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