SCHEMBL5129665

SCHEMBL5129665

CC(C)N1CCN(C(=O)c2ccccc2)C(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.39
F2 P00734 3/20 0.39
PTGER4 P35408 1/20 0.39
F10 P00742 1/20 0.39
KLK1 P06870 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 1/20 0.38
HMGCR P04035 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5122404 0.89 SMN1; SMN2 (0.41) PTGER4SMN1; SMN2KCNH2CYP2C9HMGCR
SCHEMBL5123537 0.88 PRKAA2 (0.41) PTGER4SMN1; SMN2KCNH2CYP2C9ALDH1A1
SCHEMBL5119559 0.86 KCNE1 (0.44) SMN1; SMN2KCNH2CYP2C9HMGCRALDH1A1
SCHEMBL5121553 0.85 ALDH1A1 (0.48) PTGER4SMN1; SMN2KCNH2CYP2C9ALDH1A1
SCHEMBL5118431 0.84 KCNH2 (0.39) PTGER4SMN1; SMN2KCNH2CYP2C9ALDH1A1
SCHEMBL5119825 0.84 ALDH1A1 (0.46) PTGER4KCNH2CYP2C9ALDH1A1
SCHEMBL5129157 0.83 PTGER4 (0.41) PTGER4SMN1; SMN2KCNH2CYP2C9ALDH1A1
SCHEMBL5118409 0.83 TLR2 (0.42) PTGER4SMN1; SMN2KCNH2CYP2C9MAPT
SCHEMBL5121491 0.82 VHL (0.41) PTGER4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5129588 0.82 PRKAA2 (0.44) PTGER4SMN1; SMN2KCNH2CYP2C9KMT2A

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 KLKB1 3281/4885F2 1893/4885PTGER4 1437/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KLKB1 3228/4885F2 1877/4885PTGER4 1432/4885

“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.