SCHEMBL18010668

SCHEMBL18010668

N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4cccc5c(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(C#N)cc8)n7)cc6)cccc45)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.57
ABCB1 P08183 3/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
NTSR1 P30989 1/20 0.49
MYC P01106 1/20 0.48
SQOR Q9Y6N5 2/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL17969955 1.00 ABCG2 (0.57) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL19939376 0.95 ABCG2 (0.58) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL19939368 0.95 ABCG2 (0.58) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL19939367 0.94 ABCG2 (0.57) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22115123 0.94 ABCG2 (0.57) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL19939375 0.94 ABCG2 (0.57) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL17969966 0.94 ABCG2 (0.57) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22987175 0.93 ABCG2 (0.53) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL22987059 0.92 ABCG2 (0.52) ABCG2ABCB1MEN1KMT2AALDH1A1
SCHEMBL17969951 0.92 MEN1 (0.54) ABCG2MEN1KMT2AALDH1A1MAPT

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-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 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-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) CRY1, CRY2, PER2 ABCG2 3949/4885ABCB1 3878/4885MEN1 1048/4885

“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.