SCHEMBL20657254

SCHEMBL20657254

Cc1cc2c(cc1C#N)c(B1OC(C)(C)C(C)(C)O1)c(C)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ HTR6 P50406 7/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM1A O60341 2/20 0.30

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
SCHEMBL16915921 0.81 CNR2 (0.34) PTGDR2CNR2
SCHEMBL20596677 0.78 SRC (0.41) SRCPTGDR2PTGDRHTR6IMPDH2
SCHEMBL4616627 0.71 PTGDR2 (0.55) PTGDR2HTR6
SCHEMBL20657207 0.70 KDM4E (0.43) SRCHTR6IMPDH2ALDH1A1LMNA
SCHEMBL20673174 0.68 KDM1A (0.43) KDM1A
SCHEMBL20657190 0.67 KDM1A (0.62) KDM1A
SCHEMBL20595090 0.67 KDM1A (0.53) KDM1A
SCHEMBL20673178 0.66 PPARG (0.44) SRCHTR6IMPDH2ALDH1A1HPGD
SCHEMBL20595084 0.65 HTR6 (0.52) HTR6ALDH1A1LMNAHPGD
SCHEMBL29605086 0.64 PTGDR2 (0.54) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2006/4885PTGDR2 3382/4885PTGDR 3422/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B SRC 2006/4885PTGDR2 3382/4885PTGDR 3422/4885

“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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