SCHEMBL2318637

SCHEMBL2318637

Cn1ncc2cnc3[nH]c(-c4ccc(C(C)(C)O)cc4)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 7/20 0.40
▸ TNKS O95271 6/20 0.39
▸ PARP1 P09874 6/20 0.39
▸ TNKS2 Q9H2K2 6/20 0.39
▸ IKBKB O14920 2/20 0.37
▸ CHUK O15111 2/20 0.37
▸ FGFR3 P22607 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PARP6 Q2NL67 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ TIPARP Q7Z3E1 1/20 0.36
▸ PARP8 Q8N3A8 1/20 0.36
▸ PARP12 Q9H0J9 1/20 0.36
▸ PARP11 Q9NR21 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ INCENP Q9NQS7 2/20 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
SCHEMBL2316874 0.83 KIT (0.42) IKBKBCHUKFGFR3AURKAAURKB
SCHEMBL12389804 0.82 CCNB2 (0.48) IKBKBCHUKFGFR3GSK3A
SCHEMBL1933909 0.81 GSK3B (0.44) TBK1TNKSPARP1TNKS2IKBKB
SCHEMBL2319679 0.79 FGFR3 (0.38) IKBKBCHUKFGFR3AURKAAURKB
SCHEMBL1536818 0.78 KIT (0.45) FGFR3AURKAAURKBINCENPTPX2
SCHEMBL2318685 0.77 KIT (0.44) IKBKBCHUK
SCHEMBL12557112 0.77 AURKA (0.41) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL1933355 0.77 FGFR3 (0.39) IKBKBCHUKFGFR3
SCHEMBL2318344 0.76 IKBKB (0.54) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL2314617 0.76 NPC1 (0.43) FGFR3PIK3CAMTOR

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 TBK1 3334/4885TNKS 3630/4885PARP1 2706/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 TBK1 3334/4885TNKS 3630/4885PARP1 2706/4885

“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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