SCHEMBL19942098

SCHEMBL19942098

N#Cc1cc(C#N)cc(-c2cccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ABCG2 Q9UNQ0 9/20 0.43
▸ ABCB1 P08183 5/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40

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
SCHEMBL19942096 0.96 MEN1 (0.43) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL26581955 0.94 CYP1A2 (0.44) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL19939325 0.93 CYP1A2 (0.49) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL19939334 0.92 CLK4 (0.48) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL19942327 0.91 ABCG2 (0.49) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL19942328 0.90 ABCG2 (0.48) ABCG2ABCB1ABCC1ALDH1A3
SCHEMBL21131861 0.89 CLK4 (0.46) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL22987041 0.89 ABCG2 (0.48) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL19939359 0.88 CYP1A2 (0.52) MEN1ALDH1A1KMT2ACLK4CYP1A2
SCHEMBL22986955 0.88 CYP1A2 (0.48) MEN1ALDH1A1KMT2ACLK4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11152576-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-10-19 — — US disclosed
US-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — US disclosed
US-20210013422-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 — — US disclosed
EP-3595025-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2020-12-30 — — EP disclosed
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 (2 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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE AOC2, RUVBL2, RUVBL1 MEN1 2195/4885ALDH1A1 155/4885KMT2A 1408/4885
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX MEN1 2120/4885ALDH1A1 133/4885KMT2A 1833/4885

“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.

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