SCHEMBL22011433

SCHEMBL22011433

c1ccc(-c2ccc3[nH]c4c5sc6ccccc6c5c5c(ccc6sc7ccccc7c65)c4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 3/20 0.44
MAP3K11 Q16584 3/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
NTRK1 P04629 1/20 0.41
MAP3K10 Q02779 1/20 0.41
LIMK1 P53667 2/20 0.40
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
PIM3 Q86V86 2/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL18132843 0.89 MEN1 (0.51) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL18688083 0.86 CDK4 (0.40) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL15139068 0.86 MEN1 (0.48) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL22011585 0.86 CDK4 (0.58) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL25678898 0.86 GABRP (0.44) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL15127064 0.86 GABRP (0.44) MAP3K9MAP3K11CDK4CCND1MEN1
Boric Acid SCHEMBL28476105 0.84 CDK4 (0.43) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL14951800 0.84 MEN1 (0.48) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL19890909 0.84 MEN1 (0.48) MAP3K9MAP3K11CDK4CCND1MEN1
SCHEMBL15126610 0.83 MEN1 (0.47) MAP3K9MAP3K11CDK4CCND1MEN1

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
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 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 (2 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 MAP3K9 2336/4885MAP3K11 3384/4885CDK4 3427/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 MAP3K9 2336/4885MAP3K11 3384/4885CDK4 3427/4885

“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.