SCHEMBL21541891

SCHEMBL21541891

Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4s3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
EGFR P00533 1/20 0.45
ACLY P53396 2/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
CYP1A2 P05177 1/20 0.41
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTRC Q99895 1/20 0.40
HDAC2 Q92769 1/20 0.40
ERN1 O75460 1/20 0.40
CYP19A1 P11511 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
SCHEMBL30902582 1.00 APP (0.51) APPEGFRACLYHSD17B1HSD17B2
SCHEMBL21476277 0.91 APP (0.57) APPACLYHSD17B1HSD17B2CA1
SCHEMBL21476765 0.91 APP (0.56) APPHSD17B1HSD17B2CA1CA2
SCHEMBL21476444 0.89 APP (0.49) APPACLYHSD17B1HSD17B2CA1
SCHEMBL31008503 0.89 APP (0.49) APPACLYHSD17B1HSD17B2CA1
SCHEMBL31008496 0.88 APP (0.49) APPACLYHSD17B1HSD17B2CA1
SCHEMBL21476442 0.88 APP (0.49) APPACLYHSD17B1HSD17B2CA1
SCHEMBL21557143 0.86 APP (0.56) APPHSD17B1HSD17B2CA1CA2
SCHEMBL21476763 0.85 APP (0.69) APPACLYHSD17B1HSD17B2CA1
SCHEMBL26644197 0.85 APP (0.51) APPHSD17B1HSD17B2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3667753-B1 ORGANIC LIGHT EMITTING DEVICE AND A COMPOUND FOR USE THEREIN NOVALED GMBH (DE) 2025-04-23 EP disclosed
CN-112135822-B N-heteroarylene compounds with low LUMO energy 诺瓦尔德股份有限公司 2024-07-16 CN disclosed
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 EP disclosed
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 EP disclosed
EP-3567039-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-05-08 EP disclosed
EP-3895226-B1 ORGANIC LIGHT EMITTING DEVICE AND A COMPOUND FOR USE THEREIN NOVALED GMBH (DE) 2023-10-25 EP disclosed
US-20220029103-A1 Organic Light Emitting Device and a Compound for Use Therein NOVALED GMBH (DE) 2022-01-27 US disclosed
US-20220029103-A1 Organic Light Emitting Device and a Compound for Use Therein NOVALED GMBH (DE) 2022-01-27 US disclosed
CN-113228326-A Organic light emitting device and compound used therein 诺瓦尔德股份有限公司 2021-08-06 CN disclosed
EP-3790875-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2021-03-17 EP disclosed
EP-3667753-A2 ORGANIC LIGHT EMITTING DEVICE AND A COMPOUND FOR USE THEREIN Novaled GmbH (DE) 2020-06-17 EP disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 WO disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 WO disclosed
EP-3567039-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2019-11-13 EP disclosed
EP-3567039-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2019-11-13 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-20220029103-A1 Organic Light Emitting Device and a Compound for Use Therein CYBA, CYP1A2, AOX1 APP 1742/4885EGFR 3721/4885ACLY 1532/4885

“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.