SCHEMBL23296374

SCHEMBL23296374

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(C#N)c(-c2ccccn2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 14/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL31272842 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL23341614 0.96 KDM4E (0.40) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31272615 0.95 KDM4E (0.43) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31400268 0.90 GRM5 (0.39) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31273647 0.86 GRM5 (0.40) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31273342 0.85 SMN1; SMN2 (0.40) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31272441 0.84 ADORA1 (0.38) KDM4EGRM5
SCHEMBL31272881 0.83 TGFBR1 (0.35) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL31273483 0.83 GRM5 (0.38) KDM4EALDH1A1MAPTTSHRHTT
SCHEMBL22454895 0.82 GRM5 (0.44) KDM4EALDH1A1MAPTTSHRHTT

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-20210135119-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2021-05-06 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 (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-20210135119-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 KDM4E 4364/4885ALDH1A1 242/4885MAPT 112/4885

“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.