SCHEMBL450353

SCHEMBL450353

[c]1cccnc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
SMPD3 Q9NY59 1/20 0.32
AXL P30530 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL289744 0.74 CYP2A6 (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL20135900 0.72
SCHEMBL2644667 0.72 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL13740175 0.72 TDO2 (0.38) ALDH1A1KDM4EMAPTTDO2MAPK1
SCHEMBL17714518 0.69 NOTUM (0.41) ALDH1A1KDM4EKMT2AMAPTNOTUM
SCHEMBL32810 0.69 KDM4E (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL296899 0.68 MAPK1 (0.42) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3147551 0.67
SCHEMBL9872249 0.67
SCHEMBL2589374 0.67 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1

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
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US claimed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP claimed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP claimed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US claimed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
EP-1856092-A1 6-HETEROARYL-1,2,3,4,4A,10B-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Nycomed GmbH (DE) 2007-11-21 EP disclosed
WO-2006092417-A1 6 -HETEROARYL-1, 2, 3,4,4A, 1OB-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS NYCOMED GMBH (DE) 2006-09-08 WO disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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 (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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 ALDH1A1 3275/4885KDM4E 3426/4885LMNA 660/4885
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 ALDH1A1 878/4885KDM4E 4178/4885LMNA 463/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ALDH1A1 2405/4885KDM4E 1280/4885LMNA 860/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ALDH1A1 2405/4885KDM4E 1280/4885LMNA 860/4885

“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.