SCHEMBL38765

SCHEMBL38765

O=C1CNc2ccccc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.39
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL1592807 0.80 MEN1 (0.40) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2782043 0.76 NOS2 (0.39) BRPF1ALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2995811 0.76 CA12 (0.52) GAAMAPTLMNACA12CA9
SCHEMBL9208019 0.75 ALOX15 (0.36) BRPF1ALOX15HSD17B10ALDH1A1MEN1
SCHEMBL3153578 0.72 ALDH1A1 (0.56) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL8806440 0.72 MEN1 (0.41) BRPF1ALOX15HSD17B10ALDH1A1MEN1
SCHEMBL4111485 0.71 NOS2 (0.44) BRPF1ALOX15HSD17B10ALDH1A1MEN1
SCHEMBL4203753 0.68 ALDH1A1 (0.31) ALDH1A1MAPTLMNA
SCHEMBL4203755 0.68 ALDH1A1 (0.31) ALDH1A1MAPTLMNA
SCHEMBL5730287 0.68 BRPF1 (0.37) BRPF1ALOX15HSD17B10MEN1KMT2A

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US claimed
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2012142659-A1 SITE-SELECTIVE MODIFICATION OF PROTEINS BAKER IDI HEART AND DIABETES INSTITUTE HOLDINGS LIMITED (AU) 2012-10-26 WO disclosed
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed
WO-2006066950-A2 TRICYCLIC AMINOALCOHOLS, METHODS FOR PRODUCING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 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 (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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 BRPF1 1503/4885ALOX15 3800/4885HSD17B10 4303/4885
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 BRPF1 809/4885ALOX15 33/4885HSD17B10 113/4885
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS BRPF1 778/4885ALOX15 23/4885HSD17B10 350/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES BRPF1 921/4885ALOX15 70/4885HSD17B10 174/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B BRPF1 1008/4885ALOX15 44/4885HSD17B10 278/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES BRPF1 1304/4885ALOX15 44/4885HSD17B10 177/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES BRPF1 921/4885ALOX15 70/4885HSD17B10 174/4885

“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.