SCHEMBL2315074

SCHEMBL2315074

Cn1ncc2cnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.46
▸ CDK8 P49336 1/20 0.45
▸ IKBKB O14920 2/20 0.39
▸ CHUK O15111 2/20 0.39
▸ BRAF P15056 3/20 0.39
▸ TNNI3K Q59H18 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ TTK P33981 2/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CCNE2 O96020 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CDK5 Q00535 2/20 0.37

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
SCHEMBL1537036 0.90 PIK3CA (0.41) KITIKBKBCHUKBRAFTNNI3K
SCHEMBL2315101 0.88 BRAF (0.48) KITIKBKBCHUKBRAFTNNI3K
SCHEMBL2316811 0.88 JAK1 (0.41) KITIKBKBCHUKBRAFTNNI3K
SCHEMBL2322063 0.83 BRD4 (0.47) IKBKBCHUKBRAFTNNI3KBRD4
SCHEMBL12557112 0.82 AURKA (0.41) IKBKBCHUKBRAFTNNI3KCSF1R
SCHEMBL12389859 0.82 SYK (0.42) IKBKBCHUKBRAFTNNI3KBRD4
SCHEMBL2318344 0.81 IKBKB (0.54) KITIKBKBCHUK
SCHEMBL2319865 0.81 CHUK (0.57) CDK8IKBKBCHUKEGFRCSF1R
SCHEMBL2318233 0.80 AURKA (0.51) KITIKBKBCHUKBRD4
SCHEMBL2318898 0.78 MAPK1 (0.50) —

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 334/4885CDK8 401/4885IKBKB 14/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KIT 334/4885CDK8 401/4885IKBKB 14/4885

“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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