SCHEMBL19942199

SCHEMBL19942199

N#Cc1ccc(-c2ccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.47
▸ ABCB1 P08183 6/20 0.47
▸ SLC22A12 Q96S37 1/20 0.44
▸ ABCC1 P33527 3/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19942082 1.00 ABCG2 (0.47) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL19942212 1.00 ABCG2 (0.47) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL19942219 1.00 ABCG2 (0.47) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL22064732 0.96 ABCG2 (0.44) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL22987162 0.95 ABCG2 (0.45) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL22986975 0.95 ABCG2 (0.45) ABCG2ABCB1SLC22A12ABCC1GABRA1
SCHEMBL19942106 0.93 CYP1A2 (0.43) ABCG2ABCB1SLC22A12CYP1A2CYP2C9
SCHEMBL22065423 0.93 ABCG2 (0.46) ABCG2ABCB1SLC22A12ABCC1CYP1A2
SCHEMBL19942214 0.93 CYP1A2 (0.43) ABCG2ABCB1SLC22A12CYP1A2CYP2C9
SCHEMBL19942081 0.93 CYP1A2 (0.49) ABCG2GABRA1GABRG2GABRB3GABRA5

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 6 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-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 — — 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 ABCG2 3953/4885ABCB1 3750/4885SLC22A12 1431/4885
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX ABCG2 3620/4885ABCB1 3211/4885SLC22A12 4127/4885

“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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