SCHEMBL2298152

SCHEMBL2298152

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3cccc(C=O)c3)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.38
DYRK2 Q92630 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
DYRK3 O43781 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
BRD4 O60885 1/20 0.35
CDK8 P49336 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
PTGDR Q13258 1/20 0.30
VDR P11473 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL2302602 0.86 ESR1 (0.36) DYRK1ADYRK1B
SCHEMBL2302530 0.86 DHFR (0.37) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL2295854 0.85 GRIN2B (0.36)
SCHEMBL2297601 0.85 RECQL (0.34)
SCHEMBL2297388 0.84 JAK2 (0.38) CCNT1CDK9
SCHEMBL2297853 0.84 JAK1 (0.42) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL2296117 0.83 GRM2 (0.35) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL2299833 0.83 PDE4B (0.38) CCNT1CDK9CDK8
SCHEMBL2298966 0.82 JAK2 (0.40) DYRK1A
SCHEMBL3398945 0.82 CDK8 (0.34) CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 DYRK1A 1340/4885DYRK2 949/4885DYRK1B 1261/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 DYRK1A 1794/4885DYRK2 1338/4885DYRK1B 1765/4885

“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.