SCHEMBL19164552

SCHEMBL19164552

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 14/20 0.46
▸ ABCB1 P08183 9/20 0.46
▸ PDK2 Q15119 2/20 0.42
▸ ABCC1 P33527 4/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 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
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 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
SCHEMBL19164391 0.99 ABCG2 (0.45) ABCG2ABCB1PDK2ABCC1MEN1
SCHEMBL19172959 0.97 PDK2 (0.44) ABCG2ABCB1PDK2ABCC1MEN1
SCHEMBL19164335 0.92 ABCG2 (0.47) ABCG2ABCB1PDK2MEN1ALDH1A1
SCHEMBL21922522 0.92 PDK2 (0.44) ABCG2ABCB1PDK2ABCC1MEN1
SCHEMBL19164065 0.92 PDK2 (0.48) ABCG2ABCB1PDK2ABCC1MEN1
SCHEMBL19164313 0.91 ABCG2 (0.40) ABCG2ABCB1PDK2MEN1KMT2A
SCHEMBL19164584 0.91 PDK2 (0.40) ABCG2ABCB1PDK2ABCC1ALDH1A1
SCHEMBL19164589 0.91 ABCG2 (0.46) ABCG2ABCB1PDK2MEN1ALDH1A1
SCHEMBL19164392 0.91 ABCG2 (0.49) ABCG2ABCB1PDK2ABCC1MEN1
SCHEMBL19164136 0.91 ABCG2 (0.49) ABCG2ABCB1PDK2ABCC1MEN1

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 ABCG2 2072/4885ABCB1 307/4885PDK2 1279/4885

“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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