SCHEMBL19161925

SCHEMBL19161925

c1ccc(-c2cccc(-c3nc(-n4c5cc6c7ccccc7n7c8ccccc8c(c5c5ccc8ccccc8c54)c67)c4ccccc4n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ACP1 P24666 2/20 0.34
CYP1A2 P05177 8/20 0.34
CYP3A4 P08684 7/20 0.34
CYP2D6 P10635 7/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
GBA1 P04062 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31
RECQL P46063 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
SCHEMBL19162532 0.94 TSHR (0.39) TSHRMAPK1HSD17B10ACP1LMNA
SCHEMBL21134408 0.94 TSHR (0.40) TSHRMAPK1HSD17B10ACP1LMNA
SCHEMBL19163013 0.93 TSHR (0.35) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19162724 0.91 ROCK2 (0.35) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19163344 0.91 ROCK2 (0.35) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19161690 0.91 TSHR (0.34) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19161290 0.90 TSHR (0.35) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19162377 0.90 CYP1A2 (0.36) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19162134 0.90 ACP1 (0.38) TSHRMAPK1HSD17B10ACP1CYP1A2
SCHEMBL19161566 0.89 TSHR (0.36) TSHRMAPK1HSD17B10ACP1CYP1A2

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 6 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
EP-3305792-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2018-04-11 EP 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 TSHR 4646/4885MAPK1 676/4885HSD17B10 2894/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TSHR 4646/4885MAPK1 676/4885HSD17B10 2894/4885
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 TSHR 4646/4885MAPK1 676/4885HSD17B10 2894/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 TSHR 4646/4885MAPK1 676/4885HSD17B10 2894/4885

“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.