SCHEMBL19169496

SCHEMBL19169496

Cc1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ RAC1 P63000 2/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ AR P10275 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CTRC Q99895 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ IKBKB O14920 1/20 0.33

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
SCHEMBL19169639 0.85 KMT2A (0.44) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL16902214 0.84 KMT2A (0.46) ELANEMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19169384 0.84 ELANE (0.38) ELANERAC1AURKAAURKBMAPT
SCHEMBL19660799 0.84 ALDH1A1 (0.38) ELANEAURKAAURKBMAPTAR
SCHEMBL19161200 0.83 ELANE (0.38) ELANERAC1AURKAAURKBMAPT
SCHEMBL18370734 0.83 ADORA2A (0.39) ELANEAURKAAURKBMAPTMEN1
SCHEMBL18370735 0.80 ADORA2A (0.36) ELANEAURKAAURKBMEN1KMT2A
SCHEMBL18370737 0.80 ADORA2A (0.36) ELANEAURKAAURKBMEN1KMT2A
SCHEMBL18370740 0.79 ADORA2A (0.36) ELANEAURKAAURKBMEN1KMT2A
SCHEMBL18370739 0.79 ADORA2A (0.36) ELANEAURKAAURKBMEN1KMT2A

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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885RAC1 2996/4885AURKA 1030/4885

“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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