SCHEMBL4743412

SCHEMBL4743412

O=c1c(Br)c(Br)cnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
ALDH1A1 P00352 7/20 1.00
LMNA P02545 5/20 1.00
HTT P42858 4/20 1.00
MAPT P10636 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
RXFP1 Q9HBX9 2/20 1.00
PAX8 Q06710 2/20 1.00
XBP1 P17861 2/20 0.70
MAPK14 Q16539 2/20 0.57
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.55
NPBWR1 P48145 1/20 0.55
MITF O75030 1/20 0.54
S1PR4 O95977 1/20 0.54
THRB P10828 1/20 0.54
S1PR1 P21453 1/20 0.54

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
SCHEMBL4675793 0.82 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL134480 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL27619397 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4187625 0.82 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11582931 0.82 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5842939 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2887406 0.82 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2894611 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4191587 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31278205 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US claimed
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-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
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
WO-2008101615-A1 METHOD FOR PRODUCING 4,5-DIHALOGEN-2-ARYL-2H-PYRIDAZIN-3-ONES BAYER ANIMAL HEALTH GMBH (DE) 2008-08-28 WO disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 WO disclosed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885SMN1; SMN2 1856/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885SMN1; SMN2 1856/4885
US-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 RAB9A 2668/4885NPC1 2288/4885SMN1; SMN2 1185/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 RAB9A 2627/4885NPC1 2380/4885SMN1; SMN2 1153/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 RAB9A 2627/4885NPC1 2380/4885SMN1; SMN2 1153/4885

“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.