SCHEMBL3230372

SCHEMBL3230372

CC1N(C)C(c2ccnc(F)c2)=C(c2ccc(F)cc2)N1S

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
MAPK13 O15264 4/20 0.39
MAPK12 P53778 4/20 0.39
MAPK11 Q15759 4/20 0.39
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
KCNH2 Q12809 1/20 0.36
GRM5 P41594 2/20 0.34
NPY5R Q15761 1/20 0.33
MAPT P10636 1/20 0.33
NR3C2 P08235 1/20 0.32
SYK P43405 1/20 0.32
S1PR1 P21453 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL3238739 0.81 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3235753 0.63 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5443561 0.63 CSNK1D (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL22068158 0.63 IDO1 (0.55) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2848951 0.63 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3228998 0.62 CSNK1D (0.40) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6091007 0.60 PTGS2 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2847071 0.60 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL8836231 0.59 TDO2 (0.45) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL31395006 0.58 IDO1 (0.35) MAPK14MAPK13MAPK12MAPK11SYK

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
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-2054404-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2009-05-06 EP disclosed
WO-2008023066-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2008-02-28 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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B MAPK14 2368/4885MAPK13 2173/4885MAPK12 1839/4885

“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.