SCHEMBL6002763

SCHEMBL6002763

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN2CCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
ENPP2 Q13822 2/20 0.39
CSNK1D P48730 2/20 0.38
MAPK14 Q16539 2/20 0.38
GABRA5 P31644 3/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
MAPK10 P53779 1/20 0.37
HDAC4 P56524 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4826461 0.93 CHEK1 (0.37) TLR7CSNK1DMAPK14GABRA5
SCHEMBL6002771 0.88 TP53 (0.41) TLR7ENPP2HSP90AA1HSP90AB1MAPK10
Isopropylamine SCHEMBL4826689 0.88 PTPN1 (0.39) ENPP2CSNK1DMAPK14MAPK10NPC1
SCHEMBL4790988 0.87 CSNK1D (0.35) ENPP2CSNK1DMAPK14HSP90AA1HSP90AB1
SCHEMBL4722400 0.86 TLR7 (0.42) TLR7CSNK1DMAPK14GABRA5MAPK10
SCHEMBL6004885 0.85 TLR7 (0.41) TLR7CSNK1DMAPK14GABRA5MAPK10
SCHEMBL4762959 0.81 GABRA5 (0.48) TLR7CSNK1DMAPK14GABRA5MAPK10
SCHEMBL6004622 0.78 PIN1 (0.44) PIN1TLR7CSNK1DMAPK14GABRA5
SCHEMBL4761826 0.77 MAPK14 (0.42) PIN1TLR7CSNK1DMAPK14GABRA5
SCHEMBL6004394 0.76 ENPP2 (0.42) PIN1TLR7ENPP2ALDH1A1

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 PIN1 598/4885TLR7 495/4885ENPP2 266/4885

“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.