SCHEMBL20596677

SCHEMBL20596677

Cc1cc2c(cc1C#N)c(Br)c(C)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.41
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ PTGDR Q13258 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ HTR6 P50406 7/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AVPR1A P37288 1/20 0.34

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
SCHEMBL20657254 0.78 SRC (0.35) SRCPTGDRPTGDR2IMPDH2HTR6
SCHEMBL16916209 0.78 CNR2 (0.38) SRCMAOBMAOAPTGDR2IMPDH2
SCHEMBL20657207 0.77 KDM4E (0.43) SRCMAOBMAOAIMPDH2HTR6
SCHEMBL20657190 0.74 KDM1A (0.62) —
SCHEMBL20673178 0.72 PPARG (0.44) SRCIMPDH2HTR6CNR2BRD4
SCHEMBL29208197 0.72 SRC (0.39) SRCMAOBMAOAPTGDRPTGDR2
SCHEMBL20595084 0.71 HTR6 (0.52) HTR6BRD4LMNA
SCHEMBL2432894 0.68 BRD4 (0.43) SRCMAOAPTGDRPTGDR2IMPDH2
SCHEMBL2110900 0.67 HTR6 (0.44) SRCHTR6CNR2LMNA
SCHEMBL25423168 0.67 SRC (0.41) SRCPTGDRPTGDR2HTR6CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642195-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2020-04-29 — — EP disclosed
CN-111032641-A Substituted 5-cyanoindole compounds and uses thereof 诺华股份有限公司 2020-04-17 — — CN disclosed
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 — — US disclosed
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 — — US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 — — US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 — — US disclosed
WO-2018234978-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-12-27 — — 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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof KDM1A, KDM5A, KDM1B SRC 2006/4885MAOB 189/4885MAOA 187/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B SRC 2006/4885MAOB 189/4885MAOA 187/4885

“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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