SCHEMBL19164065

SCHEMBL19164065

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.48
▸ ABCG2 Q9UNQ0 12/20 0.46
▸ ABCB1 P08183 8/20 0.46
▸ ABCC1 P33527 3/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ MYC P01106 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL19173080 0.99 PDK2 (0.50) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL19171609 0.97 PDK2 (0.50) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL21396091 0.96 PDK2 (0.53) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL12134948 0.96 PDK2 (0.51) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL12134949 0.96 PDK2 (0.51) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL21395735 0.95 PDK2 (0.54) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL19172302 0.94 ABCG2 (0.48) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL19164148 0.92 ABCG2 (0.50) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL19172256 0.92 PDK2 (0.49) PDK2ABCG2ABCB1ABCC1GABRA1
SCHEMBL19172965 0.92 ABCG2 (0.50) PDK2ABCG2ABCB1ABCC1GABRA1

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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 — — US disclosed
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 — — 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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 PDK2 1279/4885ABCG2 2072/4885ABCB1 307/4885

“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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