SCHEMBL29601950

SCHEMBL29601950

Nc1ccc2c(c1)C(c1ccccc1)c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54

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
SCHEMBL16158397 0.89 CDK5 (0.50) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL70993 0.83 LMNA (0.54) CDK5CHEK1AURKADAPK3JAK2
Benzene SCHEMBL27791155 0.83 LMNA (0.54) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL29370508 0.83 LMNA (0.54) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL25171318 0.83 LMNA (0.54) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL1681655 0.81 HTR2A (0.43) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL6138419 0.80 CYP3A4 (0.44) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL20869346 0.79 MEN1 (0.43) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL21174548 0.79 MEN1 (0.43) CDK5CHEK1AURKADAPK3JAK2
SCHEMBL22068817 0.79 GAA (0.49) CDK5CHEK1AURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12069950-B2 Materials for electronic devices MERCK KGAA (DE) 2024-08-20 US disclosed
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-05-19 US 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-12069950-B2 Materials for electronic devices EED, EPHA6, ERCC1 CDK5 2291/4885CHEK1 1768/4885AURKA 3243/4885
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES EED, EPHA6, ERCC1 CDK5 2291/4885CHEK1 1768/4885AURKA 3243/4885

“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.