Sugi Predict

Sugi Predict / Compounds / SCHEMBL5658316

SCHEMBL5658316

SCHEMBL5658316

N#CC(c1ccc(I)cc1)c1ccc2nc(Cl)nc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ADORA1 P30542 5/20 0.38
▸ ADORA2A P29274 5/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ S1PR2 O95136 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
SCHEMBL14588480 0.92 KDM4E (0.43) MAPTKDM4EALDH1A1LMNAADORA1
SCHEMBL5656222 0.87 MAPT (0.53) MAPTKDM4EALDH1A1LMNAADORA1
SCHEMBL14588482 0.79 MAPT (0.59) MAPTKDM4EALDH1A1LMNAADORA1
SCHEMBL6791445 0.76 FNTA (0.46) ADORA1ADORA2AADORA2BL3MBTL1GAA
SCHEMBL3553199 0.74 CSNK2A2 (0.45) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL5025655 0.71 KMT2A (0.54) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL19293871 0.70 KDM4E (0.59) MAPTKDM4EALDH1A1LMNAADORA1
SCHEMBL14588483 0.68 FNTA (0.52) MAPTALDH1A1LMNAADORA1ADORA2A
SCHEMBL5016765 0.67 FNTA (0.46) MAPTKDM4EALDH1A1LMNAMAT2A
SCHEMBL3486575 0.67 KDM4E (0.71) MAPTKDM4EALDH1A1LMNAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173040-B2 Farnesyl transferase inhibiting 6-[(substituted phenyl)methyl]-quinoline and quinazoline derinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-06 — — US disclosed
US-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties JANSSEN-CILAG S.A. (FR) 2004-03-11 — — US disclosed
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 — — EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 — — 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 (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-20040048882-A1 Farnesyl transferase inhibiting 6-(substituted phenyl) Methy)-quinoline and quinazoline derinazoline derivaties FNTB, FNTA, CYP7A1 MAPT 3556/4885KDM4E 1592/4885ALDH1A1 835/4885

“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.