SCHEMBL29914913

SCHEMBL29914913

N#Cc1cccc(-c2ccccc2)c1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
CYP11B2 P19099 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
PIM1 P11309 1/20 0.46
ATM Q13315 1/20 0.46
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
DHPS P49366 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 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
SCHEMBL323073 0.83 GABRG2 (0.48) KDM4EGAAPDK2ALDH1A1CYP1A2
SCHEMBL565466 0.83 ESR2 (0.50) KDM4EGAAPDK2ALDH1A1CYP1A2
SCHEMBL31264147 0.82 ESR2 (0.55) ADORA2AADORA1CYP11B2CNR1CNR2
SCHEMBL30630392 0.82 ESR2 (0.55) ADORA2AADORA1CYP11B2CNR1CNR2
SCHEMBL14856915 0.82 ESR2 (0.55) ADORA2AADORA1CYP11B2CNR1CNR2
SCHEMBL28427457 0.81 CYP2A6 (0.54) CYP11B2KDM4EPDK2ALDH1A1CYP1A2
SCHEMBL2146565 0.79 KDM4E (0.52) ADORA2AADORA1CYP11B2RXFP1KDM4E
SCHEMBL20240078 0.79 KDM4E (0.49) ADORA2AADORA1CYP11B2RXFP1KDM4E
SCHEMBL14746398 0.79 CYP11B2 (0.42) CYP11B2CNR1CNR2KDM4EGLA
SCHEMBL31663569 0.79 CYP11B2 (0.47) ADORA2AADORA1CYP11B2CNR1CNR2

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA ADORA2A 1602/4885ADORA1 3208/4885CYP11B2 272/4885

“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.