SCHEMBL19161277

SCHEMBL19161277

CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2c1sc1ccccc12

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 3/20 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
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL19161954 0.86 TNKS (0.47) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19162691 0.85 TNKS (0.46) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19169838 0.83 MAPT (0.47) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19161200 0.80 ELANE (0.38) TNKSTNKS2MAPTCASRAURKA
SCHEMBL16902377 0.80 ADORA2A (0.39) TNKSTNKS2MAPTAURKAAURKB
SCHEMBL21085653 0.78 MAPT (0.34) MAPTALDH1A1HPGDNPC1TSHR
SCHEMBL19161952 0.78 TNKS (0.45) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19106197 0.78 MEN1 (0.41) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL19106194 0.78 MEN1 (0.41) TNKSTNKS2MAPTPIM1PIM2
SCHEMBL16902380 0.77 ADORA2A (0.36) TNKSTNKS2MAPTPIM1PIM2

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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2019-07-09 — — 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
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 (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-10347845-B2 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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