SCHEMBL3028836

SCHEMBL3028836

COc1cccc(-n2ncc(Br)c(Br)c2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
NPC1 O15118 3/20 0.63
MAPT P10636 3/20 0.63
HTT P42858 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
RXFP1 Q9HBX9 2/20 0.63
PAX8 Q06710 2/20 0.63
NPBWR1 P48145 9/20 0.57
MCHR1 Q99705 5/20 0.57
XBP1 P17861 2/20 0.56
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3032746 0.85 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL3032744 0.84 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL2895263 0.84 ALDH1A1 (0.69) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL3034789 0.82 RAB9A (0.68) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL31278205 0.82 RAB9A (0.68) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL4191587 0.81 NPC1 (0.69) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL4740875 0.79 RAB9A (0.67) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL13219476 0.79 NPC1 (0.55) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL18454366 0.78 NPBWR1 (0.59) RAB9ASMN1; SMN2LMNANPC1HTT
Hydrochloric Acid SCHEMBL3037752 0.78 NPC1 (0.53) ALDH1A1RAB9ASMN1; SMN2LMNANPC1

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 ALDH1A1 761/4885RAB9A 3655/4885SMN1; SMN2 1856/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP ALDH1A1 761/4885RAB9A 3655/4885SMN1; SMN2 1856/4885

“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.