SCHEMBL6170576

SCHEMBL6170576

CSc1nccc(-c2[nH]c(C3CCN(C(=O)OCc4ccccc4)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
MAPK13 O15264 4/20 0.49
MAPK9 P45984 4/20 0.49
MAPK12 P53778 4/20 0.49
MAPK11 Q15759 4/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
RPS6KA3 P51812 1/20 0.49
RAF1 P04049 4/20 0.48
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
F2R P25116 1/20 0.41
BRAF P15056 2/20 0.40
KIT P10721 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
GRIN2B Q13224 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL14174028 0.91 TRPC3 (0.41) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL6172458 0.89 MAPK13 (0.64) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL14174029 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL6174413 0.89 CSNK1A1 (0.65) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL6170828 0.88 MAPK13 (0.49) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL7455444 0.88 TRPV4 (0.40) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL6222724 0.88 CSNK1A1 (0.55) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8488208 0.87 HCRTR1 (0.47) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL6172475 0.87 CSNK1A1 (0.54) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL7529385 0.86 MAPK13 (0.48) MAPK14MAPK13MAPK9MAPK12MAPK11

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 2 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
EP-0906307-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2005-04-27 EP 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 MAPK14 1644/4885MAPK13 2427/4885MAPK9 3331/4885

“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.