SCHEMBL5128644

SCHEMBL5128644

Cc1ccc(CNC(=O)c2nc(-c3ccc(CN4CCN(C)CC4)cc3)nc(O)c2O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CHRM3 P20309 2/20 0.43
LCK P06239 4/20 0.43
CSF1R P07333 4/20 0.43
MAPK14 Q16539 2/20 0.43
DDR2 Q16832 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
ERBB4 Q15303 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ABL1 P00519 1/20 0.42
HDAC1 Q13547 2/20 0.42
WDR5 P61964 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
AVPR1B P47901 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL5114965 0.94 KMT2A (0.46) HSP90AA1HSP90AB1CHRM3LCKCSF1R
SCHEMBL5129782 0.93 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPK14HDAC6WDR5
SCHEMBL5123725 0.92 HDAC4 (0.49) HSP90AA1HSP90AB1MAPK14HDAC6
SCHEMBL5255197 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1WDR5
SCHEMBL5129405 0.86 TP53 (0.53) HDAC1WDR5
SCHEMBL5118745 0.86 HDAC4 (0.49) HSP90AA1HSP90AB1MAPK14HDAC6KMT2A
SCHEMBL5129298 0.86 KLKB1 (0.45) HSP90AA1HSP90AB1HDAC6
SCHEMBL5125742 0.86 ENPP2 (0.47) HSP90AA1HSP90AB1KDRHDAC6PIK3CA
SCHEMBL5122020 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1CHRM3HDAC6
SCHEMBL5121590 0.83 HSP90AA1 (0.44) HSP90AA1HSP90AB1HDAC1WDR5PIK3CA

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 2871/4885CHRM3 3470/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP HSP90AA1 2924/4885HSP90AB1 2867/4885CHRM3 3300/4885

“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.