SCHEMBL2319171

SCHEMBL2319171

Cc1ccc(S(=O)(=O)n2c(-c3ccc(OCCN(C)C)cc3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 2/20 0.41
▸ ACHE P22303 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ LSS P48449 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33

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
SCHEMBL2319349 0.87 MAPT (0.41) ALDH1A1TSHRHTT
SCHEMBL2317034 0.85 ACHE (0.46) ACHEADORA3ADORA2AADORA2BADORA1
SCHEMBL2314719 0.84 HRH3 (0.44) ACHEALDH1A1MAPK1CACNA1B
SCHEMBL2320310 0.82 LATS1 (0.37) ALDH1A1TP53SMN1; SMN2
SCHEMBL2316443 0.81 ESRRG (0.38) ESRRGACHEADORA3ADORA2AADORA2B
SCHEMBL2320144 0.81 PTGS2 (0.33) ADORA3TNKSALDH1A1TSHRHTT
SCHEMBL2316906 0.80 HTR6 (0.45) HTR6TP53
SCHEMBL2319888 0.79 PTPN11 (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL2315157 0.79 LMNA (0.37) HTR6ALDH1A1TP53TSHR
SCHEMBL2321809 0.78 ALDH1A1 (0.41) ALDH1A1TP53TSHRMAPK1SMN1; SMN2

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 ESRRG 2000/4885ACHE 1662/4885ADORA3 1321/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ESRRG 2000/4885ACHE 1662/4885ADORA3 1321/4885

“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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