SCHEMBL6071799

SCHEMBL6071799

O=Cc1nn[nH]c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
GCGR P47871 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
CA12 O43570 1/20 0.36
ALPL P05186 1/20 0.36
RPA1 P27694 1/20 0.36
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 2/20 0.34
JAK2 O60674 1/20 0.33
RET P07949 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL4961817 0.81 NPC1 (0.41) KDM4EALDH1A1NPC1RAB9A
SCHEMBL4963651 0.80 NOTUM (0.41) KDM4ENOTUM
SCHEMBL14307558 0.72 MAPK14 (0.40) MAPK14GCGRKDM4EMAPK13MAPK12
SCHEMBL2175497 0.69 MAPK14 (0.40) MAPK14GCGRKDM4EMAPK13MAPK12
SCHEMBL29139424 0.68 MAPK14 (0.44) MAPK14GCGRKDM4EALDH1A1LMNA
SCHEMBL4834069 0.68 LMNA (0.55) MAPK14KDM4EALDH1A1LMNAMAPK13
SCHEMBL25220966 0.67 MAPK14 (0.57) MAPK14GCGRKDM4EALDH1A1LMNA
SCHEMBL6626583 0.67 MAPK14 (0.57) MAPK14GCGRKDM4EALDH1A1LMNA
SCHEMBL28327757 0.67 MAPK14 (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL18965583 0.66 NPSR1 (0.38) MAPK14KDM4EALDH1A1LMNACA12

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
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
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 MAPK14 565/4885GCGR 3131/4885KDM4E 1032/4885

“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.