SCHEMBL5122945

SCHEMBL5122945

CCNC(=O)N1CCN(C)C(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2C9 P11712 1/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
FAAH O00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
ADRB2 P07550 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
SCHEMBL5128086 0.90 KCNE1 (0.44) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5125629 0.88 FAAH (0.45) NPSR1KCNE1CCR1KCNQ1CYP2C9
SCHEMBL5128153 0.87 KCNE1 (0.46) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5115138 0.86 KCNE1 (0.44) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5129588 0.86 PRKAA2 (0.44) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5251006 0.85 KCNE1 (0.44) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5119559 0.84 KCNE1 (0.44) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5127311 0.83 CALCA (0.42) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5118359 0.83 KCNE1 (0.46) NPSR1KCNE1CCR1KCNQ1KCNH2
SCHEMBL5121001 0.83 GLA (0.48) KCNE1CCR1KCNQ1KCNH2CYP2C9

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 NPSR1 4435/4885KCNE1 3742/4885CCR1 1592/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP NPSR1 4369/4885KCNE1 3858/4885CCR1 1642/4885

“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.