SCHEMBL22995342

SCHEMBL22995342

N#Cc1cc2ncoc2cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
THRB P10828 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL32677788 0.85 TRPV4 (0.44) CHRNB2CHRNA4DYRK1ACTNNB1WNT3A
SCHEMBL31286075 0.85 CHRNB2 (0.35) CHRNB2CHRNA4DYRK1AALDH1A1MEN1
SCHEMBL31286061 0.85 TRPV4 (0.44) CHRNB2CHRNA4DYRK1AALDH1A1MEN1
SCHEMBL30798795 0.85 CHRNB2 (0.35) CHRNB2CHRNA4DYRK1AALDH1A1MEN1
SCHEMBL30798634 0.81 ALDH1A1 (0.40) ALDH1A1CTNNB1WNT3AKDM4EEGFR
SCHEMBL30798740 0.77 SLC22A12 (0.34) CHRNB2CHRNA4
SCHEMBL941915 0.77 CHRNB2 (0.48) CHRNB2CHRNA4DYRK1AALDH1A1MEN1
SCHEMBL6119475 0.74 CHRNB2 (0.47) CHRNB2CHRNA4DYRK1AALDH1A1MEN1
SCHEMBL11518261 0.72 CYP2A6 (0.47) DYRK1AALDH1A1MEN1GAAKMT2A
SCHEMBL28042705 0.72 DYRK1A (0.45) DYRK1ANPC1RAB9ASMN1; SMN2LMNA

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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME P&H TECH (KR) 2021-02-18 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-20210050527-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CHRNB2 3080/4885CHRNA4 2449/4885DYRK1A 3723/4885

“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.