SCHEMBL19161952

SCHEMBL19161952

CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2sc3ccccc3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.45
▸ MAPT P10636 2/20 0.35
▸ SRC P12931 4/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ RIPK2 O43353 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PRKDC P78527 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
SCHEMBL23184018 0.89 TNKS (0.46) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19161619 0.86 TNKS (0.47) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19162670 0.85 TNKS (0.46) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL23473704 0.85 TNKS (0.42) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL24623026 0.84 TNKS (0.38) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19169558 0.83 TNKS (0.44) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19169626 0.81 TNKS (0.40) TNKSTNKS2MAPTSRCABL1
SCHEMBL17297417 0.81 TNKS (0.39) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL29533965 0.81 TNKS (0.39) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19301216 0.81 HRH4 (0.46) TNKSTNKS2MAPTSRCHRH4

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 3 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
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 (3 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 TNKS 3525/4885TNKS2 4086/4885MAPT 1589/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885MAPT 1589/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885MAPT 1589/4885

“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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