SCHEMBL19161954

SCHEMBL19161954

CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.47
▸ TNKS2 Q9H2K2 3/20 0.47
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ LIMK1 P53667 3/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ KRAS P01116 1/20 0.34

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
SCHEMBL19162691 0.97 TNKS (0.46) TNKSTNKS2ATMTDP1PIM1
SCHEMBL19161277 0.86 TNKS (0.45) TNKSTNKS2ATMPIM1PIM2
SCHEMBL19169685 0.82 TNKS (0.47) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017815 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017760 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017773 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL16902189 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017908 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017762 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2
SCHEMBL18017898 0.80 MEN1 (0.44) TNKSTNKS2ATMPIM1PIM2

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 5 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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2019-07-09 — — 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
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 (4 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 4086/4885ATM 2136/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885ATM 2136/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885ATM 2136/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885ATM 2136/4885

“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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