SCHEMBL22737405

SCHEMBL22737405

N#Cc1cccc(C#N)c1-c1cccc2c1c1cc(-c3ccccc3)ccc1n2-c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA1 P14867 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SSTR2 P30874 1/20 0.34
ATM Q13315 2/20 0.33
FAAH O00519 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
NR3C1 P04150 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22737258 0.99 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737388 0.96 KDM4E (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737462 0.93 ATM (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737082 0.92 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737262 0.92 NR3C1 (0.35) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737259 0.92 KDM4E (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737664 0.91 SMN1; SMN2 (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737469 0.90 ALDH1A1 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737447 0.89 KDM4E (0.36) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22737293 0.89 KDM4E (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20200377490-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-03 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-20200377490-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING ORGANIC LIGHT-EMITTING DEVICE CCNE2, CRY2, PER2 GABRG2 4658/4885GABRB3 4686/4885GABRA5 4863/4885

“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.