SCHEMBL5129381

SCHEMBL5129381

Cc1ccc(CNC(=O)c2nc(-c3ccccc3C)nc(O)c2O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 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
SCHEMBL5128797 0.88 P2RX7 (0.44) KDM4EALDH1A1HPGD
SCHEMBL5115263 0.87 KDM4E (0.50) WDR5KDM4EALDH1A1HPGDKMT2A
SCHEMBL5130148 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5129405 0.84 TP53 (0.53) WDR5HPGDPOLBMAPT
SCHEMBL5129254 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5122860 0.84 MAPT (0.44) WDR5KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5128258 0.83 ERCC1 (0.46) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL5127964 0.82 MMP13 (0.54) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL5130363 0.81 P2RX7 (0.48) ALDH1A1HPGDMAPT
SCHEMBL5121956 0.81 KDM4E (0.43) WDR5KDM4EHPGDCNR1CNR2

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 WDR5 481/4885KDM4E 414/4885ALDH1A1 1079/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP WDR5 437/4885KDM4E 337/4885ALDH1A1 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.