SCHEMBL22745375

SCHEMBL22745375

N#Cc1cc(-n2ccnc2)cc(-n2ccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 2/20 0.47
GAA P10253 1/20 0.47
CYP19A1 P11511 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ENPP2 Q13822 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALOX15 P16050 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43

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
SCHEMBL9425528 0.88 CYP11B1 (0.43) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL5228601 0.88 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL25159951 0.84 ENPP2 (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9426009 0.84 CYP3A4 (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3531362 0.84 CYP19A1 (0.46) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL16673120 0.83 CYP3A4 (0.62) CYP3A4CYP19A1LMNAMAPTENPP2
SCHEMBL31420979 0.82 IDO1 (0.58) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3832736 0.82 IDO1 (0.58) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL1009532 0.81 LMNA (0.58) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL6213351 0.81 CYP17A1 (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210159428-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-27 US disclosed
US-20200377537-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY 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-20200377537-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, GPX1, OCIAD1 CYP3A4 346/4885CYP1A2 233/4885CYP2C19 422/4885

“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.