SCHEMBL1150108

SCHEMBL1150108

Cn1c(C2CCCN2C(=O)c2ccncc2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CYP2C9 P11712 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
CALCA P06881 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK14 Q16539 1/20 0.39
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 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
SCHEMBL1150879 0.93 KCNH2 (0.53) KCNH2CYP2C9L3MBTL1KCNE1CCR1
SCHEMBL1150253 0.91 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150529 0.91 KCNH2 (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150468 0.90 CYP2C9 (0.54) KCNH2CYP2C9L3MBTL1KCNE1CCR1
SCHEMBL1150097 0.89 KCNH2 (0.49) KCNH2CYP2C9L3MBTL1KCNE1CCR1
SCHEMBL1150708 0.88 KCNH2 (0.56) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150126 0.88 KCNH2 (0.56) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150624 0.88 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150070 0.86 KCNH2 (0.55) KCNH2CYP2C9L3MBTL1KCNE1CCR1
SCHEMBL1150512 0.86 KCNH2 (0.55) KCNH2CYP2C9KCNE1CCR1KCNQ1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US 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 claimed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US claimed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US claimed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP claimed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US claimed
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-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
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-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-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-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2006-11-16 US disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
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 disclosed
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 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 (4 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 KCNH2 3623/4885CYP2C9 505/4885L3MBTL1 1365/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI KCNH2 3623/4885CYP2C9 505/4885L3MBTL1 1365/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 KCNH2 4004/4885CYP2C9 528/4885L3MBTL1 1853/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 KCNH2 3758/4885CYP2C9 626/4885L3MBTL1 1291/4885

“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.