SCHEMBL3039672

SCHEMBL3039672

O=c1c(Br)c(Br)cnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 3/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RXFP1 Q9HBX9 2/20 0.61
LMNA P02545 1/20 0.61
PAX8 Q06710 1/20 0.61
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
XBP1 P17861 1/20 0.51
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CTSK P43235 3/20 0.45

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
SCHEMBL18455065 0.86 NPBWR1 (0.53) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL11285510 0.86 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL11731435 0.81 NPBWR1 (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4740875 0.81 RAB9A (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL18467658 0.80 CYP17A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4191587 0.80 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL3034789 0.78 RAB9A (0.68) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL31278205 0.78 RAB9A (0.68) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL3037242 0.78 NPC1 (0.64) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4743412 0.77 RAB9A (1.00) MAPTNPC1RAB9ASMN1; SMN2HTT

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 30 patents — showing the first 20. 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
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
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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 EP disclosed
US-4002751-A SLEEP INDUCERS, CNS DEPRESSANTS SANDOZ, INC. (US) 1977-01-11 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 (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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPT 4845/4885NPC1 4331/4885RAB9A 4436/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPT 4849/4885NPC1 4230/4885RAB9A 4413/4885
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP MAPT 2862/4885NPC1 2857/4885RAB9A 3655/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPT 4849/4885NPC1 4230/4885RAB9A 4413/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 MAPT 4849/4885NPC1 4230/4885RAB9A 4413/4885

“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.