SCHEMBL21742579

SCHEMBL21742579

Cc1ccccc1-c1ccccc1-c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.61
MAPK1 P28482 2/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.55
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
GSK3B P49841 1/20 0.49
ROCK1 Q13464 1/20 0.49
GSR P00390 1/20 0.48
TSHR P16473 2/20 0.47
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43

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
SCHEMBL8010509 0.94 RECQL (0.64) RECQLMAPK1HTTRAB9AESR1
SCHEMBL3473850 0.92 RECQL (0.69) RECQLMAPK1HTTRAB9AESR1
SCHEMBL12854005 0.92 RECQL (0.69) RECQLMAPK1HTTRAB9AESR1
SCHEMBL15783222 0.91 ESR1 (0.56) RECQLMAPK1HTTRAB9AESR1
SCHEMBL13085156 0.90 RECQL (0.71) RECQLMAPK1HTTRAB9AESR1
SCHEMBL20405376 0.88 ESR1 (0.58) RECQLMAPK1HTTRAB9AESR1
SCHEMBL22522284 0.84 RECQL (0.64) RECQLMAPK1HTTRAB9AESR1
SCHEMBL804584 0.84 RECQL (0.64) RECQLMAPK1HTTRAB9AESR1
SCHEMBL12776960 0.84 RECQL (0.51) RECQLMAPK1HTTRAB9AESR1
SCHEMBL27702413 0.83 RECQL (0.63) RECQLMAPK1HTTRAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR RECQL 500/4885MAPK1 3046/4885HTT 1536/4885

“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.