SCHEMBL3727707

SCHEMBL3727707

Cc1nc(-c2ccc(F)cc2)c(C2CCNC2)s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
MAPK13 O15264 2/20 0.43
RAF1 P04049 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK12 P53778 2/20 0.43
KCNH2 Q12809 3/20 0.40
ACHE P22303 1/20 0.40
MPO P05164 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL13041312 0.89 GABRA1 (0.43) KCNH2
SCHEMBL8554786 0.84 HTR2A (0.47) MAPK11MAPK14MAPK13RAF1MAPK9
Bromide SCHEMBL8556262 0.83 HTR2A (0.47) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL3730571 0.71 DRD4 (0.48) PTGS2MAPK11MAPK14KCNH2
SCHEMBL8188473 0.68 ALDH1A1 (0.61) PTGS2MAPK14
SCHEMBL15849937 0.68 ALDH1A1 (0.47) PTGS2MAPK14
SCHEMBL2937820 0.66 HTR3A (0.66) MPO
SCHEMBL1707108 0.66 HTR3A (0.66) MPO
SCHEMBL1828844 0.66 HTR3A (0.66) MPO
SCHEMBL29764150 0.66 PTGS2 (0.51) PTGS2MAPK11MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US claimed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
WO-2008156601-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2008-12-24 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-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 PTGS2 462/4885MAPK11 3180/4885MAPK14 3853/4885

“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.