SCHEMBL13380339

SCHEMBL13380339

CCn1c(C)c(-c2ccnc(SOC)n2)n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
MAPK14 Q16539 6/20 0.33
MAPK13 O15264 6/20 0.33
MAPK12 P53778 6/20 0.33
MAPK11 Q15759 5/20 0.33
KDM4E B2RXH2 1/20 0.33
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32
MAOB P27338 1/20 0.32
ADORA1 P30542 1/20 0.32
CCNA2 P20248 1/20 0.32
CSNK1E P49674 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NCOA3 Q9Y6Q9 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
SCHEMBL13376804 0.89 CCNA2 (0.42) TSHRPOLBMAPK14MAPK13MAPK12
SCHEMBL13380320 0.82 MAPK13 (0.35) TSHRPOLBMAPK14MAPK13MAPK12
SCHEMBL13376667 0.78 MAPK13 (0.33) TSHRPOLBMAPK14MAPK13MAPK12
SCHEMBL13376803 0.77 CCNA2 (0.41) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL13380326 0.70 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL13376656 0.68 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL13376802 0.66 ALDH1A1 (0.43) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL13376732 0.63 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL12714295 0.62 KDM4E (0.45) TSHRMAPK14KDM4ECYP2C19NPSR1
SCHEMBL14969244 0.61 NOTUM (0.46) POLBKDM4EMAPK8

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-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20070185326-A1 antiinflammatory agents; antiarthritic agents MAPK1, CHUK, MAPK3 TSHR 2801/4885POLB 4234/4885MAPK14 4/4885

“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.