Sugi Predict

Sugi Predict / Compounds / SCHEMBL3824263

SCHEMBL3824263

SCHEMBL3824263

CCNc1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ PDE5A O76074 6/20 0.49
▸ GBA1 P04062 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ADORA2B P29275 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ EIF4H Q15056 1/20 0.39

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
SCHEMBL3827080 0.91 CFTR (0.51) CFTRPDE5AGBA1L3MBTL1PKM
SCHEMBL3816463 0.89 CFTR (0.53) CFTRPDE5AGBA1L3MBTL1PKM
SCHEMBL3824113 0.89 CFTR (0.65) CFTRPDE5AGBA1PKMNPSR1
SCHEMBL3823980 0.83 CFTR (0.51) CFTRPDE5AGBA1L3MBTL1PKM
SCHEMBL5804966 0.83 CFTR (0.51) CFTRPDE5AGBA1L3MBTL1PKM
SCHEMBL3822709 0.83 CFTR (0.59) CFTRGBA1L3MBTL1NPSR1MEN1
SCHEMBL3816459 0.83 CFTR (0.52) CFTRPDE5AGBA1L3MBTL1PKM
SCHEMBL3823336 0.82 CFTR (0.53) CFTRGBA1L3MBTL1PKMNPSR1
SCHEMBL5807199 0.82 CFTR (0.53) CFTRGBA1L3MBTL1PKMNPSR1
SCHEMBL13724387 0.82 CFTR (0.67) CFTRGBA1L3MBTL1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-03-17 — — 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 (1 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-20050059687-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885PDE5A 2127/4885GBA1 575/4885

“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.