SCHEMBL6004403

SCHEMBL6004403

C#CCN(C(=O)c1nc(CN2CCNCC2)sc1-c1ccc(F)cc1)c1cnc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
SCN9A Q15858 1/20 0.33
GRM2 Q14416 1/20 0.33
HCRTR1 O43613 3/20 0.32
ULK1 O75385 1/20 0.31
CACNA2D1 P54289 1/20 0.31
ACVR1 Q04771 1/20 0.31
HCRTR2 O43614 2/20 0.31
OPRM1 P35372 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL6002817 0.84 MAPK14 (0.35) MAPK14SCN9AGRM2HCRTR1ULK1
SCHEMBL4762646 0.75 TSHR (0.34) MAPK14SCN9AGRM2HCRTR1ULK1
SCHEMBL4877480 0.68 HCRTR1 (0.36) MAPK14HCRTR1HCRTR2
SCHEMBL4868024 0.66 TAAR1 (0.36) MAPK14HCRTR1HCRTR2
SCHEMBL4762449 0.65 HCRTR1 (0.34) MAPK14SCN9AHCRTR1ULK1HCRTR2
SCHEMBL14705600 0.64 GRM2 (0.43) SCN9AGRM2
SCHEMBL6004205 0.63 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL6004400 0.63 ULK1 (0.39) SCN9AGRM2HCRTR1ULK1ACVR1
SCHEMBL4761322 0.62 KDM4E (0.38) MAPK14HCRTR1HCRTR2
SCHEMBL6002812 0.58 ULK1 (0.38) SCN9AHCRTR1ULK1HCRTR2

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 MAPK14 26/4885SCN9A 4676/4885GRM2 2723/4885

“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.