SCHEMBL21742841

SCHEMBL21742841

Cc1cccc2c1c1cc(-c3ncccn3)ccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
GRM5 P41594 2/20 0.36
PTGER4 P35408 2/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
DYRK1A Q13627 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
SCHEMBL21742639 0.88 GRM5 (0.41) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL21742779 0.87 L3MBTL1 (0.39) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL14900744 0.86 KDM4E (0.46) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL19011136 0.85 L3MBTL1 (0.44) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL21742564 0.85 KDM4E (0.39) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL19011150 0.84 KDM4E (0.51) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL21742502 0.82 JAK2 (0.35) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL21742511 0.81 CHEK1 (0.41) KDM4EL3MBTL1JAK2JAK3ALDH1A1
SCHEMBL21742505 0.81 ATM (0.38) KDM4EL3MBTL1ATMJAK2JAK3
SCHEMBL16201591 0.79 KDM4E (0.47) KDM4EL3MBTL1ATMJAK2JAK3

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 KDM4E 3201/4885L3MBTL1 2878/4885ATM 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.