SCHEMBL6004529

SCHEMBL6004529

C#CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.43
TGFBR1 P36897 1/20 0.40
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ROCK1 Q13464 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HAO2 Q9NYQ3 1/20 0.37
ROCK2 O75116 1/20 0.37
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6002714 0.89 TLR7 (0.45) TLR7TGFBR1PREPFAPPOLB
SCHEMBL6005149 0.85 CNR1 (0.45) TLR7TGFBR1PREPFAPPOLB
SCHEMBL4762808 0.83 TGFBR1 (0.48) TLR7TGFBR1PREPFAPPOLB
SCHEMBL4830402 0.83 MAPK11 (0.50) TLR7TGFBR1PREPFAPROCK1
SCHEMBL4821126 0.82 ALDH1A1 (0.51) TLR7ROCK1HAO2LMNA
SCHEMBL6002821 0.79 MAPK11 (0.49) TLR7PREPFAPCSNK1D
SCHEMBL4718804 0.77 HAO2 (0.39) TLR7TGFBR1POLBRAB9ANPC1
SCHEMBL6004397 0.77 TLR7 (0.45) TLR7TGFBR1PREPFAPCSNK1D
SCHEMBL4720079 0.73 TGFBR1 (0.46) TLR7TGFBR1PREPFAP
SCHEMBL4761409 0.72 MAPK11 (0.52) TLR7TGFBR1PREPFAPROCK1

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 495/4885TGFBR1 572/4885PREP 1122/4885

“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.