SCHEMBL21085598

SCHEMBL21085598

CC(C)(C)c1nc(-c2ccccc2)nc2c1sc1ccc(CC(C)(C)c3nc(-c4ccccc4)nc4c3oc3ccccc34)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ TSHR P16473 5/20 0.41
▸ LMNA P02545 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 10/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 7/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ GAA P10253 2/20 0.36

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
SCHEMBL21085653 0.91 MAPT (0.34) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL24622757 0.86 MAPT (0.38) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL19162676 0.77 MAPT (0.56) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL19161275 0.75 MAPT (0.54) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL19162691 0.74 TNKS (0.46) MAPTKMT2AHTTMEN1NPSR1
SCHEMBL19161954 0.72 TNKS (0.47) MAPT
SCHEMBL24700746 0.71 TNKS (0.33) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL18017650 0.69 MAPT (0.45) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL18017655 0.68 MAPT (0.44) MAPTKMT2ATSHRLMNAPOLB
SCHEMBL18017656 0.68 MAPT (0.44) MAPTKMT2ATSHRLMNAPOLB

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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 — — US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 — — 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 (2 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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 MAPT 1589/4885KMT2A 1423/4885TSHR 4646/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 MAPT 1589/4885KMT2A 1423/4885TSHR 4646/4885

“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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