SCHEMBL12389804

SCHEMBL12389804

COc1ccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CCNB1 P14635 2/20 0.48
▸ CCNB3 Q8WWL7 2/20 0.48
▸ RIPK1 Q13546 1/20 0.48
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ FGFR3 P22607 1/20 0.45
▸ EGFR P00533 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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 0.84 KIT (0.42) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL2321887 0.83 TNKS (0.48) GSK3BFGFR3EGFRCSF1RMAPKAPK2
SCHEMBL2318637 0.82 TBK1 (0.40) GSK3AFGFR3IKBKBCHUK
SCHEMBL1934412 0.81 LCK (0.42) GSK3AGSK3BCDK5FGFR3CSF1R
SCHEMBL1537027 0.80 GSK3B (0.63) GSK3AGSK3BCDK5FGFR3CSF1R
SCHEMBL2319478 0.80 MAP3K14 (0.44) GSK3AGSK3BCDK5CDK5R1CSF1R
SCHEMBL2319679 0.80 FGFR3 (0.38) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL2315226 0.79 CAMKK2 (0.50) CHUKNPC1RAB9A
SCHEMBL2320966 0.79 HRH3 (0.47) CHUK
SCHEMBL1536818 0.79 KIT (0.45) FGFR3MAPTPRMT5KIT

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-8785677-B1 Organoleptic compound INTERNATIONAL FLAVORS & FRAGRANCES 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-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 CCNB2 317/4885CDK1 264/4885CCNB1 314/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CCNB2 317/4885CDK1 264/4885CCNB1 314/4885

“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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