SCHEMBL2314653

SCHEMBL2314653

Cn1cc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.44
▸ AURKB Q96GD4 6/20 0.44
▸ CDK7 P50613 5/20 0.44
▸ AURKA O14965 5/20 0.44
▸ CDK5 Q00535 5/20 0.44
▸ LRRK2 Q5S007 4/20 0.44
▸ JAK2 O60674 4/20 0.44
▸ ABL1 P00519 4/20 0.44
▸ RET P07949 4/20 0.44
▸ FLT3 P36888 4/20 0.44
▸ PRKAA1 Q13131 4/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ KDR P35968 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ LIMK1 P53667 2/20 0.44
▸ IGF1R P08069 5/20 0.42
▸ LCK P06239 4/20 0.42
▸ GSK3A P49840 4/20 0.42
▸ PAK4 O96013 3/20 0.42

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
SCHEMBL2319421 0.87 CDK5 (0.59) GSK3BAURKBCDK7AURKACDK5
SCHEMBL1933917 0.85 GSK3B (0.47) GSK3BAURKBCDK7AURKACDK5
SCHEMBL2316976 0.84 GSK3B (0.61) GSK3BAURKBCDK7AURKACDK5
SCHEMBL1537027 0.82 GSK3B (0.63) GSK3BAURKBCDK7AURKACDK5
SCHEMBL1933909 0.81 GSK3B (0.44) GSK3BAURKBCDK7AURKACDK5
SCHEMBL1934059 0.81 SYK (0.47) GSK3BAURKBCDK7AURKACDK5
SCHEMBL2318643 0.80 SYK (0.47) GSK3BAURKBCDK7AURKACDK5
SCHEMBL1933691 0.79 GSK3B (0.45) GSK3BAURKBCDK7AURKACDK5
SCHEMBL2316874 0.79 KIT (0.42) AURKBAURKACDK5CSF1RCLK2
SCHEMBL1933185 0.79 GSK3B (0.46) GSK3BAURKBCDK7AURKACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US claimed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 GSK3B 1274/4885AURKB 438/4885CDK7 521/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885AURKB 438/4885CDK7 521/4885

“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.

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