SCHEMBL22011585

SCHEMBL22011585

c1ccc2c(c1)[nH]c1c3sc4ccccc4c3c3c(ccc4sc5ccccc5c43)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.58
CCND1 P24385 4/20 0.58
MAP3K9 P80192 3/20 0.58
MAP3K11 Q16584 3/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 1/20 0.54
TNKS O95271 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
NTRK1 P04629 1/20 0.52
MAP3K10 Q02779 1/20 0.52
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41

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
SCHEMBL22011386 0.94 MEN1 (0.58) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL22011387 0.89 MEN1 (0.54) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL22011433 0.86 MAP3K9 (0.44) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL19985996 0.85 CDK4 (0.63) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL15138782 0.85 MEN1 (0.69) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL30887363 0.85 MEN1 (0.69) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL29506382 0.85 MEN1 (0.69) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL22011388 0.85 MAP3K9 (0.67) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL18688076 0.84 MEN1 (0.50) CDK4CCND1MAP3K9MAP3K11MEN1
SCHEMBL16867092 0.83 MAP3K9 (0.65) CDK4CCND1MAP3K9MAP3K11MEN1

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 5 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
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 CDK4 3427/4885CCND1 2318/4885MAP3K9 2336/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 CDK4 3427/4885CCND1 2318/4885MAP3K9 2336/4885

“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.