SCHEMBL1728799

SCHEMBL1728799

CSc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.65
CDK2 P24941 3/20 0.65
CCNA2 P20248 2/20 0.65
CDK5 Q00535 2/20 0.65
CDK5R1 Q15078 2/20 0.65
MAPK14 Q16539 8/20 0.64
CSNK1D P48730 6/20 0.59
PRKD3 O94806 4/20 0.59
MAP4K4 O95819 4/20 0.59
MAPK8 P45983 4/20 0.59
MAPK9 P45984 4/20 0.59
CSNK1A1 P48729 4/20 0.59
GSK3B P49841 4/20 0.59
CSNK1G2 P78368 4/20 0.59
PRKD2 Q9BZL6 4/20 0.59
CSNK1G1 Q9HCP0 4/20 0.59
CSNK1G3 Q9Y6M4 4/20 0.59
MAPK1 P28482 3/20 0.59
GSK3A P49840 3/20 0.59
TAOK1 Q7L7X3 3/20 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
SCHEMBL29368356 0.88 MAPK14 (0.62) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL20969793 0.88 MAPK14 (0.62) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL4300868 0.85 MAP4K4 (0.55) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL12023544 0.82 CSNK1E (0.64) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL12154383 0.82 MAPK9 (0.70) CDK2MAPK14CSNK1DPRKD3MAP4K4
SCHEMBL1730877 0.81 PRKD3 (0.58) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL12023375 0.80 PRKD3 (0.60) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL12154474 0.80 PRKD3 (0.67) CSNK1ECDK2CCNA2CDK5CDK5R1
SCHEMBL12023423 0.79 PRKD3 (0.82) CDK2MAPK14CSNK1DPRKD3MAP4K4
SCHEMBL12023411 0.79 MAPK9 (0.72) CDK2MAPK14CSNK1DPRKD3MAP4K4

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 13 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

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 730/4885CDK2 393/4885CCNA2 2545/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 CSNK1E 677/4885CDK2 367/4885CCNA2 2350/4885

“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.