SCHEMBL3786796

SCHEMBL3786796

O=C(O)c1c(-c2ccccn2)cnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.48
TGFBR1 P36897 2/20 0.45
MAPK14 Q16539 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
PDE10A Q9Y233 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18745 0.85 PDE10A (0.51) DHODHPDE10AKDM4ELMNAALDH1A1
SCHEMBL3782651 0.83 ALDH1A1 (0.43) DHODHTGFBR1MAPK14ADORA3KDM4E
SCHEMBL4347338 0.81 DHODH (0.53) DHODHPDE10AKDM4ELMNAALDH1A1
SCHEMBL21384489 0.79 TGFBR1 (0.43) DHODHTGFBR1MAPK14ADORA3LMNA
SCHEMBL27972994 0.77 PDE10A (0.40) DHODHPDE10AKDM4ELMNANPC1
SCHEMBL2126368 0.77 KDM4E (0.47) DHODHADORA3KDM4EKDM6BKDM4A
SCHEMBL7850601 0.77 DHODH (0.56) DHODHADORA3PDE10AKDM4EKDM6B
SCHEMBL2512893 0.75 KDM4E (0.60) DHODHPDE10AKDM4ELMNANPC1
SCHEMBL1759028 0.74 ERN1 (0.54) DHODHPDE10AKDM4ELMNAALDH1A1
SCHEMBL352547 0.74 PDE10A (0.50) DHODHPDE10AKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DHODH 3116/4885TGFBR1 3153/4885MAPK14 674/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DHODH 3134/4885TGFBR1 3128/4885MAPK14 681/4885

“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.