SCHEMBL6174413

SCHEMBL6174413

CNc1nccc(-c2[nH]c(C3CCN(C(=O)OCc4ccccc4)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.65
CSNK1D P48730 1/20 0.65
RPS6KA3 P51812 1/20 0.65
RAF1 P04049 8/20 0.55
MAPK13 O15264 4/20 0.55
MAPK9 P45984 4/20 0.55
MAPK12 P53778 4/20 0.55
MAPK11 Q15759 4/20 0.55
MAPK14 Q16539 4/20 0.55
BRAF P15056 9/20 0.53
GRIN2B Q13224 1/20 0.44
KIT P10721 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
F2R P25116 1/20 0.41

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
SCHEMBL6222724 0.93 CSNK1A1 (0.55) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6172475 0.92 CSNK1A1 (0.54) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6171469 0.91 MAPK14 (0.70) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6171462 0.91 MAPK14 (0.70) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6172307 0.91 MAPK14 (0.70) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6170268 0.90 MAPK14 (0.72) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6172458 0.89 MAPK13 (0.64) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL14174029 0.89 MAPK14 (0.51) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6170576 0.89 MAPK14 (0.49) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13
SCHEMBL6170828 0.88 MAPK13 (0.49) CSNK1A1CSNK1DRPS6KA3RAF1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US disclosed
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 US disclosed
EP-0906307-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-0906307-A4 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-0906307-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997047618-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-12-18 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-20080139596-A1 Modulators of Hcv Replication EIF2AK2, MAVS, IRF3 CSNK1A1 1939/4885CSNK1D 2168/4885RPS6KA3 302/4885

“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.