SCHEMBL3028307

SCHEMBL3028307

CCOc1cnn(-c2cccc(C)c2)c(=O)c1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
PAX8 Q06710 2/20 0.66
NPBWR1 P48145 7/20 0.58
MCHR1 Q99705 6/20 0.58
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
GRM1 Q13255 1/20 0.45
CNR2 P34972 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MITF O75030 1/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13219325 0.86 RAB9A (0.71) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL1460657 0.85 NPBWR1 (0.60) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL3031931 0.80 NPC1 (1.00) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL31277650 0.80 NPC1 (1.00) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL18446084 0.80 RAB9A (0.78) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL18467551 0.79 NPBWR1 (0.44) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL18445806 0.78 RAB9A (0.74) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL3033887 0.78 RAB9A (0.66) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL9896063 0.77 NPC1 (0.51) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL13219341 0.75 RAB9A (0.56) RAB9ANPC1PAX8NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 EP disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 EP disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
EP-2518063-A1 Pyridazinones and furan-containing compounds Sloan-Kettering Institute For Cancer Research (US) 2012-10-31 EP disclosed
EP-2518063-A1 Pyridazinones and furan-containing compounds Sloan-Kettering Institute For Cancer Research (US) 2012-10-31 EP disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
EP-2099770-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS Sloan-Kettering Institute for Cancer Research (US) 2009-09-16 EP disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 WO disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885PAX8 2327/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885PAX8 2327/4885

“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.