SCHEMBL19161622

SCHEMBL19161622

CC(C)(C)c1nc(-n2c3ccccc3c3ccccc32)nc2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ HRH4 Q9H3N8 2/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ KRAS P01116 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19161961 0.89 TNKS (0.36) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL16919839 0.82 MAPT (0.46) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL16905909 0.81 HRH4 (0.43) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL19161968 0.79 ELANE (0.36) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL19162624 0.77 TNKS (0.46) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL25817310 0.77 TNKS (0.46) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL16905780 0.77 TNKS (0.36) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL19161194 0.76 HRH4 (0.43) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL25016499 0.76 TNKS (0.45) TNKSTNKS2HRH4PIM1PIM2
SCHEMBL24222727 0.76 TNKS (0.45) TNKSTNKS2HRH4PIM1PIM2

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 4086/4885HRH4 1225/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885HRH4 1225/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885HRH4 1225/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TNKS 3525/4885TNKS2 4086/4885HRH4 1225/4885

“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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