SCHEMBL5099639

SCHEMBL5099639

N#Cc1cc(-c2cccc(Cl)c2)c(CBr)cn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGGT1B P53609 2/20 0.42
NUDT1 P36639 1/20 0.41
LRRK2 Q5S007 1/20 0.41
TDO2 P48775 1/20 0.40
CYP19A1 P11511 1/20 0.40
DHFR P00374 1/20 0.40
EIF4EBP1 Q13541 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL27577075 0.90 PGGT1B (0.41) PGGT1BNUDT1LRRK2TDO2CYP19A1
SCHEMBL5094138 0.79 NUDT1 (0.44) PGGT1BNUDT1LRRK2TDO2CYP19A1
SCHEMBL5091216 0.79 DHFR (0.42) NUDT1TDO2DHFRADORA2AADORA1
SCHEMBL5091221 0.76 FNTA (0.50) PGGT1BCYP19A1FNTAFNTB
SCHEMBL836977 0.70 CHEK1 (0.37) CHEK1
SCHEMBL5592081 0.70 KDM4E (0.48) LRRK2CYP19A1ADORA2AADORA1ADORA2B
SCHEMBL27595237 0.69 FNTA (0.48) PGGT1BCYP19A1FNTAFNTB
SCHEMBL14667310 0.68 KMO (0.65) LRRK2ADORA2AADORA1ADORA2B
SCHEMBL23078878 0.67 TAAR1 (0.40) NUDT1TDO2DHFRADORA2AADORA1
SCHEMBL26971060 0.66 CHEK1 (0.34) CHEK1

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-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 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 (3 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 PGGT1B 28/4885NUDT1 77/4885LRRK2 3444/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS PGGT1B 16/4885NUDT1 61/4885LRRK2 3426/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS PGGT1B 14/4885NUDT1 119/4885LRRK2 3495/4885

“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.