SCHEMBL5114853

SCHEMBL5114853

O=CN1CCCC(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CALCA P06881 1/20 0.41
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERCC1 P07992 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
SCHEMBL5117438 0.91 CALCA (0.41) CYP2C9ALDH1A1CALCASMN1; SMN2RAB9A
SCHEMBL5127957 0.89 KCNH2 (0.43) KCNH2CYP2C9ALDH1A1CALCASMN1; SMN2
SCHEMBL5128222 0.87 KCNH2 (0.47) KCNH2CYP2C9ALDH1A1CALCAGLA
SCHEMBL5123648 0.86 ALDH1A1 (0.46) KCNH2ALDH1A1GAAMEN1LMNA
SCHEMBL5114963 0.86 ALDH1A1 (0.49) KCNH2CYP2C9ALDH1A1CALCASMN1; SMN2
SCHEMBL5114212 0.83 KCNH2 (0.48) KCNH2CYP2C9ALDH1A1CALCAGLA
SCHEMBL5120385 0.83 ALDH1A1 (0.43) KCNH2CYP2C9ALDH1A1CALCAMAPT
SCHEMBL5248391 0.82 KMT2A (0.48) KCNH2CYP2C9ALDH1A1CALCAGLA
SCHEMBL5122886 0.81 KCNH2 (0.47) KCNH2CYP2C9ALDH1A1CALCASMN1; SMN2
SCHEMBL5129141 0.81 CYP2C9 (0.47) KCNH2CYP2C9ALDH1A1CALCASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP KCNH2 3182/4885CYP2C9 1055/4885ALDH1A1 1079/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KCNH2 3194/4885CYP2C9 1033/4885ALDH1A1 1116/4885

“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.