SCHEMBL17598591

SCHEMBL17598591

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc4ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 5/20 0.46
HPGD P15428 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 4/20 0.46
LMNA P02545 4/20 0.46
KLF5 Q13887 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
DHODH Q02127 1/20 0.44
METAP1 P53582 1/20 0.43
NPC1 O15118 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL17829313 0.95 HSD17B10 (0.44) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL17829300 0.95 HSD17B10 (0.44) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL21099061 0.91 KDM4E (0.42) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL17598613 0.90 HSD17B10 (0.45) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL23953185 0.89 KDM4E (0.42) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL17413704 0.89 KDM4E (0.44) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL17598677 0.88 SMN1; SMN2 (0.45) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL18858323 0.87 HSD17B10 (0.53) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL24840252 0.87 MEN1 (0.44) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL21099078 0.87 HSD17B10 (0.45) HSD17B10TSHRMAPK1SMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
EP-2995616-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-03-16 EP 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 (1 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 HSD17B10 1853/4885TSHR 3997/4885MAPK1 3143/4885

“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.