SCHEMBL6071741

SCHEMBL6071741

CN(c1cccnc1)c1cc(C(=O)NCc2ccccc2)c2ncc(C#N)c(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
MAP3K8 P41279 6/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GRM5 P41594 1/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 1/20 0.40
STK4 Q13043 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.39
EIF2AK2 P19525 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6071770 0.86 MAP3K8 (0.50) MAP3K8GRM5EGFRERBB2STK4
SCHEMBL4969292 0.85 MAP3K8 (0.60) CNR2MAP3K8CYP1A2CYP2C9CYP2C19
SCHEMBL4963903 0.83 MAP3K8 (0.56) MAP3K8GRM5EGFRERBB2STK4
SCHEMBL4962462 0.81 MAP3K8 (0.53) MAP3K8GRM5EGFRERBB2STK4
SCHEMBL4960607 0.81 MAP3K8 (0.53) MAP3K8GRM5EGFRERBB2CYP3A4
SCHEMBL6071650 0.78 MAP3K8 (0.61) MAP3K8EGFRERBB2MAPK13EIF2AK2
SCHEMBL6071775 0.77 MAP3K8 (0.61) MAP3K8EGFRERBB2CYP3A4MAPK13
SCHEMBL6071502 0.77 MAP3K8 (0.64) MAP3K8EGFRERBB2CYP3A4MAPK13
SCHEMBL4959712 0.76 MAP3K8 (0.62) MAP3K8GRM5EGFRERBB2STK4
SCHEMBL27728093 0.76 MAP3K8 (0.49) MAP3K8GRM5EGFRERBB2STK4

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 CNR2 785/4885MAP3K8 84/4885CYP1A2 1959/4885

“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.