SCHEMBL2316976

SCHEMBL2316976

Cn1cc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c2cc(F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.61
▸ CDK7 P50613 6/20 0.61
▸ AURKB Q96GD4 6/20 0.61
▸ IGF1R P08069 5/20 0.61
▸ AURKA O14965 5/20 0.61
▸ CDK5 Q00535 5/20 0.61
▸ GSK3A P49840 5/20 0.61
▸ ABL1 P00519 4/20 0.61
▸ RET P07949 4/20 0.61
▸ FLT3 P36888 4/20 0.61
▸ PRKAA1 Q13131 4/20 0.61
▸ LCK P06239 4/20 0.61
▸ LRRK2 Q5S007 4/20 0.61
▸ JAK2 O60674 4/20 0.61
▸ CDK8 P49336 4/20 0.61
▸ CDK9 P50750 4/20 0.61
▸ CLK4 Q9HAZ1 4/20 0.61
▸ PAK4 O96013 3/20 0.61
▸ NTRK1 P04629 3/20 0.61
▸ FYN P06241 3/20 0.61

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
SCHEMBL1933917 0.88 GSK3B (0.47) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL2319421 0.86 CDK5 (0.59) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL1537027 0.85 GSK3B (0.63) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL1933909 0.85 GSK3B (0.44) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL2314653 0.84 GSK3B (0.44) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL1934059 0.84 SYK (0.47) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL2318643 0.83 SYK (0.47) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL2319584 0.81 SYK (0.46) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL1933185 0.80 GSK3B (0.46) GSK3BCDK7AURKBIGF1RAURKA
SCHEMBL1933938 0.80 SYK (0.48) SYK

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 1274/4885CDK7 521/4885AURKB 438/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885CDK7 521/4885AURKB 438/4885

“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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