SCHEMBL19942325

SCHEMBL19942325

N#Cc1ccc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(-c9ccccc9C#N)c9c(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)cccc89)c7)n6)cc5)c34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ABCG2 Q9UNQ0 11/20 0.37
▸ ABCB1 P08183 5/20 0.37
▸ XDH P47989 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GABRA1 P14867 2/20 0.35

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
SCHEMBL22883280 0.94 CYP1A2 (0.45) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL21131956 0.91 CYP1A2 (0.41) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL22883281 0.90 CYP1A2 (0.47) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL19942323 0.89 CYP1A2 (0.48) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL22883283 0.89 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL19942339 0.88 CYP1A2 (0.43) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL24872523 0.88 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL22986957 0.87 ABCG2 (0.47) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL19942326 0.86 CYP1A2 (0.41) MEN1ALDH1A1CYP1A2KMT2ACYP3A4
SCHEMBL22987041 0.86 ABCG2 (0.48) MEN1ALDH1A1CYP1A2KMT2ACYP3A4

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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 — — 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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX MEN1 2120/4885ALDH1A1 133/4885CYP1A2 284/4885

“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.

Send feedback