SCHEMBL6004396

SCHEMBL6004396

Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)NC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.45
MAPK8 P45983 1/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
CNR1 P21554 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 2/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL4818743 0.96 CNR1 (0.46) GABRA5MAPK8MAPK14POLBTDP1
SCHEMBL4832493 0.95 CNR1 (0.47) GABRA5MAPK8MAPK14CNR1KCNH2
SCHEMBL6004021 0.89 CHRNA7 (0.40) GABRA5MAPK8MAPK14POLBTDP1
SCHEMBL6004537 0.86 POLB (0.45) MAPK14POLBTDP1L3MBTL1GPBAR1
SCHEMBL6002757 0.83 ALDH1A1 (0.49) GABRA5POLBTDP1L3MBTL1GPBAR1
SCHEMBL4760337 0.82 POLB (0.47) GABRA5POLBTDP1L3MBTL1GPBAR1
SCHEMBL4721410 0.82 MAPT (0.42) POLBTDP1L3MBTL1GPBAR1NPSR1
SCHEMBL6004911 0.81 NPSR1 (0.43) GABRA5POLBTDP1L3MBTL1GPBAR1
SCHEMBL1225810 0.81 POLB (0.46) GABRA5POLBTDP1L3MBTL1GPBAR1
SCHEMBL4717776 0.80 NPSR1 (0.43) GABRA5POLBTDP1L3MBTL1GPBAR1

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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 GABRA5 4796/4885MAPK8 32/4885MAPK14 26/4885

“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.