SCHEMBL21742609

SCHEMBL21742609

Cc1cccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.43
IL1R1 P14778 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PLA2G2A P14555 1/20 0.38
NTRK1 P04629 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPK8 P45983 1/20 0.34
TYMS P04818 1/20 0.34
RPA1 P27694 1/20 0.33
MCL1 Q07820 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33

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
SCHEMBL19001659 0.87 KDM4E (0.53) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL21742610 0.85 KDM4E (0.52) L3MBTL1KDM4EATMALDH1A1MAPT
SCHEMBL21742790 0.84 L3MBTL1 (0.47) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL27388106 0.84 KDM4E (0.50) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL21742523 0.83 KDM4E (0.46) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL11998218 0.83 L3MBTL1 (0.65) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21742866 0.83 KDM4E (0.49) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21742525 0.83 L3MBTL1 (0.49) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL19678604 0.82 L3MBTL1 (0.52) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21320151 0.82 KDM4E (0.45) L3MBTL1KDM4EATMKMT2AIL1R1

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 L3MBTL1 2878/4885KDM4E 3201/4885ATM 1504/4885

“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.