SCHEMBL13313201

SCHEMBL13313201

Oc1cccc2c(-c3ccccc3)ncnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.55
JAK2 O60674 1/20 0.45
KDM4E B2RXH2 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
RAB9A P51151 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
IDO1 P14902 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
SCHEMBL23946313 0.80 ADORA2A (0.56) ADORA2AJAK2KDM4EIDO1GRM4
SCHEMBL28872929 0.79 ADORA2A (0.55) ADORA2AJAK2KDM4EPARP1LMNA
SCHEMBL23946250 0.77 ADORA2A (0.53) ADORA2AJAK2KDM4EIDO1GRM4
SCHEMBL13313198 0.76 ADORA2A (0.51) ADORA2AJAK2KDM4ETNKSTNKS2
SCHEMBL15489698 0.75 ADORA2A (0.55) ADORA2AJAK2KDM4EL3MBTL1RAB9A
SCHEMBL30013819 0.75 ADORA2A (0.55) ADORA2AJAK2KDM4EL3MBTL1RAB9A
SCHEMBL16433258 0.75 KDM4E (0.48) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL23946298 0.75 ADORA2A (0.50) ADORA2AJAK2KDM4EL3MBTL1RAB9A
SCHEMBL13321766 0.74 ADORA2A (0.53) ADORA2AJAK2KDM4EL3MBTL1RAB9A
SCHEMBL3243131 0.72 PARP1 (0.48) ADORA2AKDM4EL3MBTL1TNKSPARP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 WO disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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 (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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 ADORA2A 1269/4885JAK2 4774/4885KDM4E 3329/4885
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 ADORA2A 4387/4885JAK2 248/4885KDM4E 766/4885

“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.