SCHEMBL2319909

SCHEMBL2319909

Cn1ncc2cnc3[nH]c(-c4coc5ccccc45)cc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.36
▸ AURKA O14965 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ GRK2 P25098 1/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ CHUK O15111 2/20 0.35
▸ CDK2 P24941 3/20 0.33

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 0.79 CDK5 (0.59) GSK3BAURKAJAK2ABL1RET
SCHEMBL2318092 0.76 GSK3B (0.43) GSK3BAURKAJAK2ABL1RET
SCHEMBL1932791 0.75 RET (0.45) GSK3BAURKAJAK2ABL1RET
SCHEMBL2317117 0.75 IKBKB (0.36) GSK3BAURKAJAK2ABL1RET
SCHEMBL2315670 0.74 CCNT1 (0.37) GSK3BAURKAJAK2ABL1RET
SCHEMBL2316874 0.72 KIT (0.42) AURKACDK5AURKBIKBKBCHUK
SCHEMBL12557112 0.72 AURKA (0.41) AURKACDK5AURKBIKBKBCHUK
SCHEMBL2318685 0.72 KIT (0.44) PTK2IKBKBCHUK
SCHEMBL2318344 0.71 IKBKB (0.54) AURKAAURKBIKBKBCHUK
SCHEMBL2322271 0.70 AURKB (0.35) GSK3BAURKAJAK2ABL1RET

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 1274/4885AURKA 702/4885JAK2 206/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885AURKA 702/4885JAK2 206/4885

“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.

Send feedback