SCHEMBL1989337

SCHEMBL1989337

CCc1nc2cccnc2cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.46
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
PDE4A P27815 1/20 0.36
DHFR P00374 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2013910 0.82 TOP1 (0.44) TOP1NPC1ALDH1A1PDE10AKDM4E
SCHEMBL2017156 0.82 TOP1 (0.44) TOP1NPC1ALDH1A1PDE10ARAB9A
SCHEMBL9129527 0.80 ALDH1A1 (0.47) NPC1ALDH1A1PDE10AKDM4ELMNA
SCHEMBL13712729 0.77 PSMB5 (0.45) NPC1ALDH1A1KDM4ELMNAHPGD
SCHEMBL16851053 0.77 NQO2 (0.44) NPC1ALDH1A1KDM4EHPGDMEN1
SCHEMBL28083091 0.77 TOP1 (0.51) TOP1NPC1ALDH1A1PDE10AKDM4E
SCHEMBL25065371 0.76 ALDH1A1 (0.41) NPC1ALDH1A1KDM4EPDE4AMEN1
SCHEMBL1993651 0.76 TOP1 (0.50) TOP1NPC1ALDH1A1PDE10AKDM4E
SCHEMBL28280373 0.76 FGFR1 (0.55) TOP1NPC1ALDH1A1KDM4EHPGD
SCHEMBL2899383 0.76 TOP1 (0.50) TOP1NPC1ALDH1A1PDE10AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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 (1 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 TOP1 701/4885NPC1 4505/4885ALDH1A1 3905/4885

“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.