SCHEMBL17598628

SCHEMBL17598628

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
HPGD P15428 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
NTSR1 P30989 1/20 0.49
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP19A1 P11511 1/20 0.44
ACACA Q13085 1/20 0.43
CTRC Q99895 1/20 0.42
DHODH Q02127 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCL1 Q07820 1/20 0.40
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL17598585 1.00 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829305 0.97 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829314 0.97 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17598663 0.95 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17598581 0.95 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21131530 0.94 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829284 0.92 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829285 0.92 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21131687 0.92 MEN1 (0.62) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21131529 0.92 MEN1 (0.62) MEN1KMT2AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 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 MEN1 2678/4885KMT2A 536/4885HPGD 3263/4885

“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.