SCHEMBL2516754

SCHEMBL2516754

[c]1nc2ccc3ccccc3c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
TSHR P16473 2/20 0.41
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HPRT1 P00492 1/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP1B1 Q16678 4/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2517467 0.69 TDP1 (0.45) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL29728164 0.67 KMT2A (0.58) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL17153835 0.67 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL10045313 0.67 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL18549019 0.67 ELANE (0.52) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2517690 0.67 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2490973 0.67 KMT2A (0.58) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL29728143 0.67 CYP3A4 (0.52) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL28594146 0.67 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL3910922 0.67 CYP3A4 (0.52) CYP3A4ALDH1A1HSD17B10TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-B8 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-08 EP 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-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US claimed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US claimed
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 US claimed
EP-1641799-A1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-04-05 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
WO-2004111051-A1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-23 WO claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US 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 disclosed
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 disclosed
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 disclosed
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 disclosed
EP-0704764-A1 Photopolymerizable composition and photosensitive lithographic printing plate MITSUBISHI CHEMICAL CORPORATION (JP) 1996-04-03 EP disclosed
EP-0300410-B1 Photopolymerizable composition MITSUBISHI CHEM IND (JP) 1994-10-26 EP disclosed
US-4966830-A Photopolymerizable composition MITSUBISHI KASEI CORPORATION (JP) 1990-10-30 US disclosed
EP-0300410-A2 Photopolymerizable composition Mitsubishi Chemical Corporation (JP) 1989-01-25 EP 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 (6 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 CYP3A4 14/4885ALDH1A1 213/4885HSD17B10 1027/4885
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA CYP3A4 1627/4885ALDH1A1 1015/4885HSD17B10 361/4885
US-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD CYP3A4 1203/4885ALDH1A1 1651/4885HSD17B10 348/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD CYP3A4 1203/4885ALDH1A1 1651/4885HSD17B10 348/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CYP3A4 1183/4885ALDH1A1 3027/4885HSD17B10 1317/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP3A4 12/4885ALDH1A1 239/4885HSD17B10 1093/4885

“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.