SCHEMBL525523

SCHEMBL525523

[c]1ccc2ccc3ccccc3c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
HPRT1 P00492 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.34
CYP1A2 P05177 1/20 0.34
PAX8 Q06710 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRMT5 O14744 1/20 0.34
PRMT3 O60678 1/20 0.34

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
SCHEMBL24343 0.76 LMNA (0.62) TDP1ALDH1A1TSHRNPC1RAB9A
SCHEMBL24395 0.75 CLK1 (0.46) KDM4E
SCHEMBL524536 0.73 CYP3A4 (0.52) CYP2A6TDP1ALDH1A1HSD17B10TSHR
SCHEMBL67041 0.73 CCR1 (0.64) TDP1ALDH1A1HSD17B10TSHRHIF1A
SCHEMBL2519552 0.73 KDM4E (0.50) TDP1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2519517 0.73 KDM4E (0.50) CYP1A2LMNAKDM4E
SCHEMBL2142947 0.73 MAPT (0.38) ALDH1A1HPRT1HIF1AMAPTL3MBTL1
SCHEMBL2304470 0.71 METAP2 (0.38) CYP2A6ALDH1A1RAB9ALMNA
SCHEMBL1828724 0.71 CYP1A2 (0.37) CYP2A6TDP1ALDH1A1NPC1RAB9A
SCHEMBL144188 0.71 METAP2 (0.52) TDP1ALDH1A1HSD17B10TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324788-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-07-12 CN claimed
CN-118239966-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-06-25 CN claimed
CN-118102761-A Light emitting device, manufacturing method thereof and display panel 北京维信诺科技有限公司 2024-05-28 CN claimed
CN-118076128-A Light emitting device, manufacturing method thereof and display panel 北京维信诺科技有限公司 2024-05-24 CN claimed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN claimed
CN-118027085-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-05-14 CN claimed
CN-117794343-A Composite material, preparation method thereof, photoelectric device and display device TCL科技集团股份有限公司 2024-03-29 CN claimed
CN-117551107-A Condensed ring organic compound and preparation method and application thereof 华南理工大学 2024-02-13 CN claimed
WO-2024012365-A1 ORGANIC COMPOUND AND USE THEREOF 清华大学 2024-01-18 WO claimed
CN-117143128-A Organic compound based on phenol oxygen-boron nitrogen structure and application thereof 浙江虹舞科技有限公司 2023-12-01 CN claimed
US-8557953-B2 Polymers comprising substituted anthracenyl units, blends comprising these polymers, and devices comprising these polymers or blends MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20130126855-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2013-05-23 US claimed
US-20120108731-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-05-03 US claimed
WO-2012013310-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-02-02 WO claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
WO-2010149258-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING SAID POLYMERS, AND DEVICE COMPRISING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2010-12-29 WO claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed

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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP2A6 73/4885TDP1 727/4885ALDH1A1 213/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP2A6 73/4885TDP1 616/4885ALDH1A1 239/4885

“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.