SCHEMBL5122020

SCHEMBL5122020

Cc1ccc(CNC(=O)c2nc(-c3ccc(CN4CCCCC4)cc3)nc(O)c2O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.44
HSP90AB1 P08238 7/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
MLLT1 Q03111 3/20 0.44
KLKB1 P03952 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
THRB P10828 1/20 0.42
PDK1 Q15118 1/20 0.42
CHRM3 P20309 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.41
ENPP2 Q13822 1/20 0.41
MLLT3 P42568 1/20 0.41
YEATS2 Q9ULM3 1/20 0.41

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
SCHEMBL5129298 0.99 KLKB1 (0.45) HSP90AA1HSP90AB1TP53LMNAMLLT1
SCHEMBL5255197 0.94 HSP90AA1 (0.47) HSP90AA1HSP90AB1TP53LMNAMLLT1
SCHEMBL5129782 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1TP53LMNAMLLT1
SCHEMBL5118745 0.92 HDAC4 (0.49) HSP90AA1HSP90AB1MLLT1KLKB1PDK1
SCHEMBL5114965 0.92 KMT2A (0.46) HSP90AA1HSP90AB1CHRM3HDAC6ENPP2
SCHEMBL5123725 0.86 HDAC4 (0.49) HSP90AA1HSP90AB1MLLT1KLKB1THRB
SCHEMBL5115352 0.85 MCHR1 (0.52) HSP90AA1HSP90AB1TP53LMNAMLLT1
SCHEMBL5128644 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1CHRM3HDAC6
SCHEMBL5129633 0.84 MCHR1 (0.53) HSP90AA1HSP90AB1MLLT1HDAC6MLLT3
SCHEMBL5119851 0.81 NR1H4 (0.43) HSP90AA1HSP90AB1MLLT1HDAC6NPC1

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 HSP90AA1 2963/4885HSP90AB1 2871/4885TP53 1213/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HSP90AA1 2924/4885HSP90AB1 2867/4885TP53 1325/4885

“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.