SCHEMBL3534739

SCHEMBL3534739

CCN1CCN(Cc2ccc(-c3nc(C(=O)NCc4ccc(F)cc4)c(CO)c(=O)[nH]3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.47
FEN1 P39748 2/20 0.47
ERCC4 Q92889 2/20 0.47
ADORA2B P29275 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PRKAA2 P54646 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MCHR1 Q99705 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NTRK1 P04629 1/20 0.40
FGFR4 P22455 1/20 0.40
TEK Q02763 1/20 0.40
ENPP2 Q13822 1/20 0.40
MAPK1 P28482 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
HDAC3 O15379 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
SCHEMBL6645591 0.93 ERCC1 (0.47) ERCC1FEN1ERCC4ADORA2BADORA2A
SCHEMBL6645274 0.90 ERCC1 (0.57) ERCC1FEN1ERCC4HSP90AA1HSP90AB1
SCHEMBL6651068 0.84 ERCC1 (0.52) ERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL6649380 0.83 ERCC1 (0.54) ERCC1FEN1ERCC4MCHR1SMN1; SMN2
SCHEMBL1150767 0.76 KCNE1 (0.49) PRKAA2HSP90AA1HSP90AB1MCHR1HRH3
SCHEMBL6644307 0.76 KDM4E (0.42) ERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL6645792 0.74 ERCC1 (0.52) ERCC1FEN1ERCC4ADORA2AHSP90AA1
SCHEMBL6884591 0.74 ERCC1 (0.50) ERCC1FEN1ERCC4ADORA2ASMN1; SMN2
SCHEMBL6885131 0.72 ERCC1 (0.46) ERCC1FEN1ERCC4ADORA2AADORA1
SCHEMBL5765798 0.71 TP53 (0.44) ERCC1FEN1ERCC4HRH3MAPK1

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
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP claimed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO claimed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI ERCC1 1473/4885FEN1 292/4885ERCC4 500/4885

“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.