SCHEMBL12070710

SCHEMBL12070710

Cc1nc(N)c2ccccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
NUDT1 P36639 1/20 0.45
DCPS Q96C86 1/20 0.43
ADRA2A P08913 2/20 0.43
ADORA2A P29274 1/20 0.43
HTT P42858 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
DHFR P00374 1/20 0.41
GPR3 P46089 1/20 0.40
PDE10A Q9Y233 1/20 0.40
BACE1 P56817 2/20 0.39
NCF1 P14598 2/20 0.39
CYP2A6 P11509 1/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL28162801 0.82 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL23860776 0.78 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL8404531 0.78 GPR3 (0.56) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL509768 0.77 LMNA (0.37) KDM4EHSD17B10ALDH1A1ADRA2AADORA2A
SCHEMBL8489704 0.75 CYP2A6 (0.39) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL508815 0.75 LMNA (0.36) KDM4EALDH1A1ADRA2AHTTDHFR
SCHEMBL509508 0.75 CYP3A4 (0.43) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL11365189 0.75 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL11374086 0.75 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL11370489 0.74 HSP90AA1 (0.53) KDM4EALDH1A1HTTDHFRNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126843-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2023-02-08 EP disclosed
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
CN-109096178-A Phenylethynyl substituted benzenes and heterocycles useful for the treatment of cancer and uses thereof 肯塔基大学研究基金会 2018-12-28 CN disclosed
US-20170309832-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20170309832-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-9673402-B2 Platinum metal complexes with divalent groups bridging two ligands MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
US-9673402-B2 Platinum metal complexes with divalent groups bridging two ligands MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
EP-2726490-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-04-29 EP disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2013000531-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-01-03 WO disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 WO disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 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 (4 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-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885HSD17B10 2888/4885ALDH1A1 3721/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885HSD17B10 2888/4885ALDH1A1 3721/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885HSD17B10 3651/4885ALDH1A1 2790/4885
US-20170309832-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885HSD17B10 2888/4885ALDH1A1 3721/4885

“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.