SCHEMBL5656222

SCHEMBL5656222

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
GAA P10253 4/20 0.53
ADORA1 P30542 7/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ADORA2A P29274 5/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA2B P29275 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL14588482 0.93 MAPT (0.59) MAPTGAAADORA1KMT2AMEN1
SCHEMBL5658316 0.87 MAPT (0.41) MAPTGAAADORA1KMT2AMEN1
SCHEMBL14588480 0.79 KDM4E (0.43) MAPTGAAADORA1KMT2AADORA2A
SCHEMBL6791445 0.72 FNTA (0.46) GAAADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL7146982 0.71 GAA (0.41) MAPTGAAADORA1KMT2AMEN1
SCHEMBL11704650 0.71 MAPT (1.00) MAPTGAAADORA1KMT2AMEN1
SCHEMBL14588483 0.65 FNTA (0.52) MAPTGAAADORA1KMT2AMEN1
SCHEMBL10537657 0.63 GAA (0.50) MAPTGAAKMT2AMEN1LMNA
SCHEMBL11381303 0.62 L3MBTL1 (0.54) MAPTGAAKMT2AMEN1LMNA
SCHEMBL3553199 0.62 CSNK2A2 (0.45) MAPTKMT2AMEN1LMNAALDH1A1

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 2 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

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 3556/4885GAA 1026/4885ADORA1 3837/4885

“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.