SCHEMBL6004597

SCHEMBL6004597

CC(C)NC(=O)c1csc(-c2oc(CN(C)C)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
NR4A2 P43354 5/20 0.40
HPGDS O60760 1/20 0.38
LMNA P02545 1/20 0.37
GABRA5 P31644 4/20 0.36
CNR1 P21554 1/20 0.36
SCN9A Q15858 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
ACVR1 Q04771 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35

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
SCHEMBL6004876 0.89 TLR7 (0.44) TLR7NR4A2HPGDSLMNAGABRA5
SCHEMBL4762022 0.88 TLR7 (0.43) TLR7NR4A2HPGDSLMNAGABRA5
SCHEMBL6003997 0.82 HDAC3 (0.40) TLR7NR4A2HPGDSGABRA5POLB
SCHEMBL6004394 0.82 ENPP2 (0.42) TLR7HPGDSLMNASCN9A
SCHEMBL6004885 0.82 TLR7 (0.41) TLR7HPGDSLMNAGABRA5CNR1
SCHEMBL4828522 0.81 CHEK1 (0.40) TLR7SCN9A
SCHEMBL6003993 0.80 TLR7 (0.39) TLR7HPGDSLMNAGABRA5CNR1
SCHEMBL4868034 0.80 TGFBR1 (0.49) TLR7HPGDSCNR1
SCHEMBL4760698 0.77 ACKR3 (0.48)
SCHEMBL4762959 0.74 GABRA5 (0.48) TLR7LMNAGABRA5CNR1NPC1

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 TLR7 495/4885NR4A2 1163/4885HPGDS 332/4885

“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.