SCHEMBL18253293

SCHEMBL18253293

Cc1cccc2c3ccncc3n(C)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.64
FTO Q9C0B1 1/20 0.64
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TOP2A P11388 1/20 0.39
ROCK2 O75116 3/20 0.39
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
GRM4 Q14833 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37

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
SCHEMBL13100685 0.87 ALKBH5 (0.64) ALKBH5FTOADORA3ADORA2AMEN1
SCHEMBL25564874 0.80 ADORA3 (0.49) ALKBH5FTOADORA3ADORA2AKDM4E
SCHEMBL19271312 0.80 KDM5A (0.45) ALKBH5FTOROCK2DYRK1AMAOA
SCHEMBL24311758 0.80 KDM4E (0.53) ALKBH5FTOKDM4EMAPTROCK2
SCHEMBL18415773 0.78 ALKBH5 (0.45) ALKBH5FTOMEN1NPC1HCRTR1
SCHEMBL146377 0.78 ALKBH5 (1.00) ALKBH5FTOMEN1NPC1HCRTR1
SCHEMBL1609661 0.78 ADORA3 (0.54) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL25703709 0.78 IDO1 (0.41) ALKBH5FTOADORA3ADORA2ANPC1
SCHEMBL29358773 0.77 GPR3 (0.64) ALKBH5FTOADORA3ADORA2AMEN1
SCHEMBL280032 0.77 GPR3 (0.64) ALKBH5FTOADORA3ADORA2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-11-24 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-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS CCNE2, ESR2, CCNL2 ALKBH5 3585/4885FTO 2481/4885ADORA3 689/4885

“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.