SCHEMBL4828575

SCHEMBL4828575

C#CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
ACKR3 P25106 1/20 0.44
CSNK1D P48730 14/20 0.42
CSNK1E P49674 14/20 0.42
TGFBR1 P36897 1/20 0.42

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
SCHEMBL4761883 0.91 MAPK14 (0.47) MAPK14ACKR3CSNK1DCSNK1ETGFBR1
SCHEMBL4915605 0.88 MAPK14 (0.47) MAPK14ACKR3CSNK1DCSNK1ETGFBR1
SCHEMBL6002781 0.88 CSNK1E (0.47) MAPK14CSNK1DCSNK1E
SCHEMBL4790528 0.87 MAPK14 (0.50) MAPK14CSNK1DCSNK1ETGFBR1
SCHEMBL6004133 0.87 MAPK14 (0.46) MAPK14ACKR3CSNK1DCSNK1ETGFBR1
SCHEMBL6004212 0.86 ACKR3 (0.38) MAPK14ACKR3CSNK1DCSNK1ETGFBR1
SCHEMBL4760720 0.86 MAPK14 (0.51) MAPK14CSNK1DCSNK1E
SCHEMBL6004413 0.85 MAPK14 (0.56) MAPK14CSNK1DCSNK1ETGFBR1
SCHEMBL4816024 0.84 MAPK14 (0.47) MAPK14CSNK1DCSNK1ETGFBR1
SCHEMBL4825008 0.83 MAPK14 (0.54) MAPK14CSNK1DCSNK1E

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 MAPK14 26/4885ACKR3 262/4885CSNK1D 1696/4885

“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.