SCHEMBL22065178

SCHEMBL22065178

N#Cc1ccc(-c2ccc(-c3cc4ccccc4cc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 15/20 0.48
▸ ABCB1 P08183 9/20 0.48
▸ ABCC1 P33527 3/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ KDM1A O60341 1/20 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
SCHEMBL19939322 0.91 ABCG2 (0.55) ABCG2ABCB1ABCC1CYP11B1CYP11B2
SCHEMBL19939320 0.90 ABCG2 (0.54) ABCG2ABCB1ABCC1CYP11B1CYP11B2
SCHEMBL19939317 0.90 ABCG2 (0.55) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL29825022 0.89 MEN1 (0.47) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL21160355 0.89 ABCG2 (0.50) ABCG2ABCB1ABCC1CYP11B1CYP11B2
SCHEMBL18819264 0.88 ABCG2 (0.52) ABCG2ABCB1ABCC1CYP11B1CYP11B2
SCHEMBL22987019 0.88 ABCG2 (0.54) ABCG2ABCB1ABCC1CYP11B2MEN1
SCHEMBL21658278 0.88 ABCG2 (0.54) ABCG2ABCB1ABCC1CYP11B2MEN1
SCHEMBL19939318 0.88 ABCG2 (0.54) ABCG2ABCB1ABCC1CYP11B2MEN1
SCHEMBL21658384 0.88 ABCG2 (0.54) ABCG2ABCB1ABCC1CYP11B2MEN1

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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 — — 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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR ABCG2 2815/4885ABCB1 2655/4885ABCC1 1941/4885

“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