SCHEMBL2315101

SCHEMBL2315101

CNS(=O)(=O)c1cccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.48
▸ TNNI3K Q59H18 10/20 0.48
▸ KIT P10721 2/20 0.40
▸ IKBKB O14920 4/20 0.38
▸ CHUK O15111 4/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SYK P43405 1/20 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 0.89 PIK3CA (0.41) BRAFTNNI3KKITIKBKBCHUK
SCHEMBL2315074 0.88 KIT (0.46) BRAFTNNI3KKITIKBKBCHUK
SCHEMBL2316811 0.87 JAK1 (0.41) BRAFTNNI3KKITIKBKBCHUK
SCHEMBL2322063 0.86 BRD4 (0.47) BRAFTNNI3KIKBKBCHUKSYK
SCHEMBL12389859 0.85 SYK (0.42) BRAFTNNI3KIKBKBCHUKSYK
SCHEMBL2318898 0.81 MAPK1 (0.50) SYK
SCHEMBL12557112 0.81 AURKA (0.41) BRAFTNNI3KIKBKBCHUK
SCHEMBL2318344 0.80 IKBKB (0.54) KITIKBKBCHUK
SCHEMBL2320005 0.79 CDK8 (0.48) KITIKBKBCHUK
SCHEMBL2318233 0.79 AURKA (0.51) KITIKBKBCHUK

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 BRAF 1527/4885TNNI3K 1191/4885KIT 334/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 BRAF 1527/4885TNNI3K 1191/4885KIT 334/4885

“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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