SCHEMBL2321770

SCHEMBL2321770

Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCN4CCOCC4)c3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.40
CA2 P00918 1/20 0.40
SYK P43405 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
NEK1 Q96PY6 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2321083 0.87 BRD4 (0.42) CA12CA9ABL1CA2SYK
SCHEMBL2315139 0.86 MAPK8 (0.46) POLBALDH1A1SMN1; SMN2ABL1CYP2C19
SCHEMBL2319766 0.86 PIK3CD (0.41) ALDH1A1MTOR
SCHEMBL2316724 0.86 SYK (0.42) POLBALDH1A1SMN1; SMN2SYK
SCHEMBL2314706 0.85 POLB (0.46) POLBALDH1A1MAPK1CA9CA2
SCHEMBL2316160 0.84 SYK (0.36) SMN1; SMN2SYK
SCHEMBL2317034 0.81 ACHE (0.46) CA12CA9CA2
SCHEMBL4357924 0.81 ACVR1 (0.38) PIK3CA
SCHEMBL2314719 0.81 HRH3 (0.44) POLBALDH1A1MAPK1
SCHEMBL16245121 0.80 MAOA (0.39) CA12CA9CA2CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US 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 POLB 2384/4885ALDH1A1 305/4885MAPK1 1973/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 POLB 2384/4885ALDH1A1 305/4885MAPK1 1973/4885

“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.