SCHEMBL2321887

SCHEMBL2321887

CN(C)CCOc1ccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.48
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ PRMT5 O14744 2/20 0.43
▸ AURKA O14965 3/20 0.42
▸ EGFR P00533 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MET P08581 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ SYK P43405 1/20 0.42

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
SCHEMBL12389804 0.83 CCNB2 (0.48) PRMT5EGFRKITMAPKAPK2GSK3B
SCHEMBL2315226 0.81 CAMKK2 (0.50) ADORA2AADORA1ADORA3ADORA2BAURKA
SCHEMBL2320966 0.81 HRH3 (0.47) ADORA2AADORA1ADORA3ADORA2BAURKA
SCHEMBL2316874 0.77 KIT (0.42) AURKAEGFRKITAURKBINCENP
SCHEMBL2316729 0.77 ACHE (0.41) ADORA2AADORA1ADORA3ADORA2BACHE
SCHEMBL2318637 0.76 TBK1 (0.40) TNKSADORA3AURKAAURKBINCENP
SCHEMBL2315269 0.75 GSK3B (0.47) AURKAJAK2LCKIGF1RMET
SCHEMBL2319679 0.73 FGFR3 (0.38) AURKAKDRGSK3BAURKBINCENP
SCHEMBL2318344 0.73 IKBKB (0.54) AURKAKITMAPKAPK2AURKBINCENP
SCHEMBL1536818 0.73 KIT (0.45) PRMT5AURKAKITCDK2KDR

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 TNKS 3630/4885ADORA2A 1350/4885ADORA1 1265/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 TNKS 3630/4885ADORA2A 1350/4885ADORA1 1265/4885

“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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