SCHEMBL2318344

SCHEMBL2318344

Cn1ncc2cnc3[nH]c(-c4cccc(F)c4)cc3c21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.54
▸ CHUK O15111 6/20 0.54
▸ MAPKAPK2 P49137 1/20 0.44
▸ KIT P10721 1/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ INCENP Q9NQS7 2/20 0.38
▸ TPX2 Q9ULW0 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL12557112 0.87 AURKA (0.41) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL2317767 0.83 IKBKB (0.57) IKBKBCHUKKITAURKAAURKB
SCHEMBL2319865 0.83 CHUK (0.57) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL2318685 0.82 KIT (0.44) IKBKBCHUKKIT
SCHEMBL1537036 0.82 PIK3CA (0.41) IKBKBCHUKKIT
SCHEMBL2315074 0.81 KIT (0.46) IKBKBCHUKKIT
SCHEMBL2320005 0.80 CDK8 (0.48) IKBKBCHUKKITULK1
SCHEMBL2315101 0.80 BRAF (0.48) IKBKBCHUKKIT
SCHEMBL2316874 0.80 KIT (0.42) IKBKBCHUKKITAURKAAURKB
SCHEMBL2316811 0.79 JAK1 (0.41) IKBKBCHUKKITAURKAAURKB

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 10 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
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 IKBKB 14/4885CHUK 45/4885MAPKAPK2 2952/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 IKBKB 14/4885CHUK 45/4885MAPKAPK2 2952/4885

“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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