SCHEMBL4720965

SCHEMBL4720965

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2C2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 4/20 0.39
PIM2 Q9P1W9 4/20 0.39
PIM1 P11309 4/20 0.39
TLR7 Q9NYK1 1/20 0.39
GABRA5 P31644 3/20 0.38
CHEK1 O14757 1/20 0.38
MAPK14 Q16539 3/20 0.37
CSNK1D P48730 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ACKR3 P25106 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4761826 0.87 MAPK14 (0.42) PIM1TLR7GABRA5MAPK14CSNK1D
SCHEMBL4720968 0.86 NPC1 (0.41) PIM3PIM2PIM1TLR7CHEK1
SCHEMBL6004622 0.86 PIN1 (0.44) TLR7GABRA5MAPK14CSNK1DACKR3
SCHEMBL4791362 0.84 ACKR3 (0.41) ACKR3
SCHEMBL4717952 0.83 HDAC1 (0.41) TLR7GABRA5MAPK14NPC1RAB9A
SCHEMBL4761678 0.83 MAPK14 (0.52) PIM3PIM2PIM1TLR7CHEK1
SCHEMBL4762959 0.81 GABRA5 (0.48) TLR7GABRA5MAPK14CSNK1DNPC1
SCHEMBL4826461 0.81 CHEK1 (0.37) PIM1TLR7GABRA5CHEK1MAPK14
SCHEMBL4832486 0.79 CPT1A (0.38) TLR7MAPK14CSNK1DACKR3
SCHEMBL4722400 0.78 TLR7 (0.42) TLR7GABRA5MAPK14CSNK1DNPC1

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 PIM3 1438/4885PIM2 1301/4885PIM1 1134/4885

“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.