SCHEMBL1730283

SCHEMBL1730283

CSc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.64
CCNA2 P20248 2/20 0.64
CDK2 P24941 2/20 0.64
CDK5 Q00535 2/20 0.64
CDK5R1 Q15078 2/20 0.64
MAPK14 Q16539 5/20 0.62
CSNK1D P48730 2/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
FGFR1 P11362 1/20 0.59
FRK P42685 1/20 0.59
MAPK8 P45983 1/20 0.59
MAPK9 P45984 1/20 0.59
CSNK1A1 P48729 1/20 0.59
GSK3B P49841 1/20 0.59
CSNK1G2 P78368 1/20 0.59
PRKCD Q05655 1/20 0.59
ERBB4 Q15303 1/20 0.59
MINK1 Q8N4C8 1/20 0.59
PRKD2 Q9BZL6 1/20 0.59

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
SCHEMBL12023658 0.89 PTGS2 (0.62) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL12023957 0.87 BRAF (0.57) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL21875503 0.84 BRAF (0.57) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL14392171 0.83 TEK (0.63) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL12154456 0.82 BRAF (0.60) MAPK14CSNK1DPRKD3MAP4K4FGFR1
SCHEMBL12023739 0.82 PRKD3 (0.59) MAPK14CSNK1DPRKD3MAP4K4FGFR1
SCHEMBL21923125 0.82 CHEK2 (0.50) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL12023960 0.81 CSNK1E (0.60) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL1730222 0.81 PTGS2 (0.66) MAPK14CSNK1DPRKD3MAP4K4FGFR1
SCHEMBL12023720 0.81 FGFR1 (0.57) MAPK14CSNK1DPRKD3MAP4K4FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
EP-1633758-B1 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE INC (US) 2011-11-23 EP disclosed
EP-1633758-B1 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE INC (US) 2011-11-23 EP disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
EP-2251343-A1 IMIDAZOTHIAZOLES AS P38-KINASE-INHIBITORS ARQULE, INC. (US) 2010-11-17 EP disclosed
EP-2251343-A1 IMIDAZOTHIAZOLES AS P38-KINASE-INHIBITORS ARQULE, INC. (US) 2010-11-17 EP disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
EP-1633758-A2 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE, INC. (US) 2006-03-15 EP disclosed
WO-2004110990-A2 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE, INC. (US) 2004-12-23 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 (2 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 CSNK1E 730/4885CCNA2 2545/4885CDK2 393/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 CSNK1E 677/4885CCNA2 2350/4885CDK2 367/4885

“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.