SCHEMBL19161200

SCHEMBL19161200

CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ AR P10275 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAC1 P63000 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL19161966 0.86 ATM (0.38) ELANETNKSTNKS2TNFNOD1
SCHEMBL19161279 0.85 ATM (0.39) ELANESMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL24627103 0.85 TNF (0.45) ELANETNKSTNKS2TNFNOD1
SCHEMBL24627159 0.84 ABCG2 (0.40) ELANETNKSTNKS2TNFNOD1
SCHEMBL19169496 0.83 ELANE (0.40) ELANEARAURKAAURKBCYP1A2
SCHEMBL19169384 0.81 ELANE (0.38) ELANEARAURKAAURKBCYP1A2
SCHEMBL19660799 0.81 ALDH1A1 (0.38) ELANEARAURKAAURKBCYP1A2
SCHEMBL24627143 0.81 ELANE (0.36) ELANETNKSTNKS2TNFNOD1
SCHEMBL19161277 0.80 TNKS (0.45) ARCASRAURKAAURKBTNKS
SCHEMBL18370734 0.80 ADORA2A (0.39) ELANEAURKAAURKBCYP1A2SMN1; SMN2

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 ELANE 2532/4885AR 3056/4885CASR 4605/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885AR 3056/4885CASR 4605/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885AR 3056/4885CASR 4605/4885

“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.

Send feedback