SCHEMBL2318092

SCHEMBL2318092

Cn1ncc2cnc3[nH]c(-c4cccc5ncccc45)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ ACVR1 Q04771 4/20 0.39
▸ BPTF Q12830 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RET P07949 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ LIMK1 P53667 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
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL2314617 0.80 NPC1 (0.43) KDRABL1
SCHEMBL2318685 0.77 KIT (0.44) PTK2IKBKBCHUK
SCHEMBL2319421 0.76 CDK5 (0.59) GSK3BCDK5CDK5R1AURKAKDR
SCHEMBL2319679 0.76 FGFR3 (0.38) GSK3BCDK5CDK5R1AURKAKDR
SCHEMBL2319909 0.76 GSK3B (0.36) GSK3BCDK5ACVR1AURKAKDR
SCHEMBL2316874 0.75 KIT (0.42) CDK5CDK5R1AURKAAURKBIKBKB
SCHEMBL2317117 0.75 IKBKB (0.36) GSK3BCDK5AURKAKDRAURKB
SCHEMBL12557112 0.74 AURKA (0.41) CDK5CDK5R1AURKAAURKBIKBKB
SCHEMBL2315670 0.74 CCNT1 (0.37) GSK3BCDK5AURKAKDRAURKB
SCHEMBL2318344 0.74 IKBKB (0.54) AURKAAURKBIKBKBCHUKINCENP

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 1274/4885CDK5 642/4885CDK5R1 777/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GSK3B 1274/4885CDK5 642/4885CDK5R1 777/4885

“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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