SCHEMBL2322300

SCHEMBL2322300

Cn1ncc2cnc3[nH]c(-c4cccc(C(=O)N5CCCC5)c4)cc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.45
▸ EGLN1 Q9GZT9 2/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ MINK1 Q8N4C8 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43

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
SCHEMBL2320005 0.84 CDK8 (0.48) RIPK1MAP4K4FGFR1TBK1TNIK
SCHEMBL2319140 0.78 MAP4K4 (0.52) MAP4K4HPGDPOLB
SCHEMBL12557112 0.78 AURKA (0.41) AURKB
SCHEMBL2318147 0.77 CHUK (0.46) ALDH1A1
SCHEMBL2318344 0.77 IKBKB (0.54) AURKB
SCHEMBL2319300 0.76 IKBKB (0.61) AURKB
SCHEMBL2321701 0.76 CHUK (0.46) AURKB
SCHEMBL1537036 0.76 PIK3CA (0.41) TBK1
SCHEMBL2767920 0.75 IKBKB (0.64) —
SCHEMBL2315074 0.75 KIT (0.46) CCNT1CDK9

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 RIPK1 3057/4885EGLN1 2616/4885PLK4 1490/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 RIPK1 3057/4885EGLN1 2616/4885PLK4 1490/4885

“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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