SCHEMBL19299487

SCHEMBL19299487

Clc1cccc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.50
TDO2 P48775 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL23989133 0.92 PDK2 (0.54) PDK2MAOBTDP2PGRALOX5
SCHEMBL21666300 0.89 PDK2 (0.43) PDK2TDO2ADORA2AADORA1MEN1
SCHEMBL21925960 0.88 PDK2 (0.45) PDK2AKR1A1AKR1B1TDP2PGR
SCHEMBL25124911 0.88 PDK2 (0.47) PDK2ADORA2AADORA1MEN1GAA
SCHEMBL23989203 0.87 PDK2 (0.45) PDK2MEN1KMT2AAKR1A1AKR1B1
SCHEMBL19299404 0.87 PDK2 (0.41) PDK2TDO2ADORA2AADORA1MEN1
SCHEMBL23989130 0.85 PDK2 (0.49) PDK2TDP2PGR
SCHEMBL20687381 0.85 PDK2 (0.46) PDK2MEN1KMT2AAKR1A1AKR1B1
SCHEMBL19299490 0.85 PDK2 (0.41) PDK2AKR1A1AKR1B1TDP2PGR
SCHEMBL20618858 0.85 PDK2 (0.45) PDK2AKR1A1AKR1B1NPC1RAB9A

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-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-11538996-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
WO-2021214348-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-10-28 WO disclosed
EP-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 EP disclosed
US-10454041-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
WO-2017144150-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-31 WO 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-10454041-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 PDK2 1325/4885TDO2 1201/4885ADORA2A 4472/4885
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2E1, GPX1, ERCC1 PDK2 461/4885TDO2 1244/4885ADORA2A 3318/4885
US-11538996-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 PDK2 1325/4885TDO2 1201/4885ADORA2A 4472/4885

“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.