SCHEMBL6004885

SCHEMBL6004885

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.41
GABRA5 P31644 4/20 0.41
MAPK14 Q16539 5/20 0.39
CSNK1D P48730 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HPGDS O60760 1/20 0.35
CNR1 P21554 1/20 0.35
SCN9A Q15858 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
SCHEMBL4722400 0.90 TLR7 (0.42) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2
Isopropylamine SCHEMBL4837081 0.86 PTPN1 (0.42) TLR7MAPK14CSNK1DALDH1A1MAPK9
SCHEMBL4762959 0.85 GABRA5 (0.48) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2
SCHEMBL6002763 0.85 PIN1 (0.40) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2
SCHEMBL4826461 0.83 CHEK1 (0.37) TLR7GABRA5MAPK14CSNK1DSCN9A
SCHEMBL6004597 0.82 TLR7 (0.42) TLR7GABRA5CSNK1DNPC1RAB9A
SCHEMBL4868034 0.79 TGFBR1 (0.49) TLR7MAPK14HPGDSCNR1
SCHEMBL6004622 0.78 PIN1 (0.44) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2
SCHEMBL4720965 0.78 PIM3 (0.39) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2
SCHEMBL4761826 0.77 MAPK14 (0.42) TLR7GABRA5MAPK14CSNK1DSMN1; SMN2

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 495/4885GABRA5 4796/4885MAPK14 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.