SCHEMBL4868034

SCHEMBL4868034

CC(C)NC(=O)c1csc(-c2[nH]c(CN(C)C)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.49
TLR7 Q9NYK1 2/20 0.41
KDR P35968 1/20 0.39
ALOX5 P09917 1/20 0.38
MAPK14 Q16539 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
HPGDS O60760 1/20 0.35
CNR1 P21554 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
SCHEMBL4877485 0.89 TGFBR1 (0.51) TGFBR1TLR7KDRALOX5MAPK14
SCHEMBL4762453 0.86 TGFBR1 (0.57) TGFBR1TLR7KDRMAPK14
SCHEMBL6004210 0.84 TGFBR1 (0.46) TGFBR1TLR7ALOX5MAPK14HPGDS
SCHEMBL4761324 0.83 TLR7 (0.45) TGFBR1TLR7ALOX5MAPK14HPGDS
SCHEMBL6002824 0.82 TGFBR1 (0.45) TGFBR1TLR7KDRMAPK14
SCHEMBL4761789 0.82 TGFBR1 (0.44) TGFBR1TLR7ALOX5MAPK14HPGDS
SCHEMBL6004597 0.80 TLR7 (0.42) TLR7HPGDSCNR1
SCHEMBL6004885 0.79 TLR7 (0.41) TLR7MAPK14HPGDSCNR1
SCHEMBL4723035 0.74 MAPK14 (0.45) TLR7MAPK14MMP8MMP13HPGDS
SCHEMBL4763257 0.73 TLR7 (0.45) TLR7HPGDSCNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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 TGFBR1 572/4885TLR7 495/4885KDR 304/4885

“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.