SCHEMBL2316874

SCHEMBL2316874

Cn1ncc2cnc3[nH]c(-c4ccncc4)cc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.42
▸ EGFR P00533 3/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ CHUK O15111 2/20 0.39
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ INCENP Q9NQS7 2/20 0.37
▸ TPX2 Q9ULW0 2/20 0.37
▸ CSF1R P07333 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL2318685 0.86 KIT (0.44) KITEGFRIKBKBCHUKCSF1R
SCHEMBL12389804 0.84 CCNB2 (0.48) KITEGFRIKBKBCHUKCSF1R
SCHEMBL2318637 0.83 TBK1 (0.40) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL2319679 0.83 FGFR3 (0.38) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL1536818 0.82 KIT (0.45) KITAURKAAURKBINCENPTPX2
SCHEMBL12557112 0.81 AURKA (0.41) IKBKBCHUKAURKAAURKBINCENP
SCHEMBL2318344 0.80 IKBKB (0.54) KITIKBKBCHUKAURKAAURKB
SCHEMBL2314617 0.80 NPC1 (0.43) EGFRCCNB2CDK1CCNB1CCNB3
SCHEMBL2317117 0.79 IKBKB (0.36) KITIKBKBCHUKAURKAAURKB
SCHEMBL2314653 0.79 GSK3B (0.44) IKBKBCHUKAURKAAURKBINCENP

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 KIT 334/4885EGFR 1991/4885CLK1 3686/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KIT 334/4885EGFR 1991/4885CLK1 3686/4885

“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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