SCHEMBL13376804

SCHEMBL13376804

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CSNK1E P49674 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 9/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
CSNK1D P48730 3/20 0.36
JAK3 P52333 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13380339 0.89 TSHR (0.35) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL13376803 0.88 CCNA2 (0.41) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL13380320 0.84 MAPK13 (0.35) LMNASMN1; SMN2MAPK14MAPK13MAPK12
SCHEMBL13376667 0.81 MAPK13 (0.33) LMNASMN1; SMN2MAPK14MAPK13MAPK12
SCHEMBL13376802 0.77 ALDH1A1 (0.43) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL751267 0.71 ALDH1A1 (0.46) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL13376656 0.71 MAPK14 (0.48) CCNA2CDK2MAPK14MAPK13MAPK12
SCHEMBL13376808 0.70 MAPK14 (0.42) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL6768279 0.69 CCNA2 (0.51) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL13376810 0.68 MAPK14 (0.41) CCNA2CDK2CSNK1ECDK5CDK5R1

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 4 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-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
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 CCNA2 547/4885CDK2 245/4885CSNK1E 207/4885

“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.