SCHEMBL5115352

SCHEMBL5115352

O=C(NCc1ccc(F)cc1)c1nc(-c2ccc(CN3CCCCC3)cc2)nc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.52
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
MLLT1 Q03111 3/20 0.48
HTR2C P28335 3/20 0.46
DYRK1A Q13627 2/20 0.46
WNT1 P04628 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PRKAA2 P54646 1/20 0.45
MLLT3 P42568 1/20 0.45
YEATS2 Q9ULM3 1/20 0.45
CALCA P06881 1/20 0.45
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5129633 0.99 MCHR1 (0.53) MCHR1HSP90AA1HSP90AB1MLLT1HTR2C
SCHEMBL5122314 0.91 HDAC4 (0.56) MCHR1HSP90AA1HSP90AB1MLLT1HTR2C
SCHEMBL5125742 0.90 ENPP2 (0.47) MCHR1HSP90AA1HSP90AB1HTR2CHDAC4
SCHEMBL5130551 0.90 CHRM3 (0.51) MCHR1HSP90AA1HSP90AB1MLLT1HTR2C
SCHEMBL5122020 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1MLLT1HDAC6MLLT3
SCHEMBL5255197 0.85 HSP90AA1 (0.47) MCHR1HSP90AA1HSP90AB1MLLT1ALDH1A1
SCHEMBL5129298 0.84 KLKB1 (0.45) HSP90AA1HSP90AB1MLLT1HDAC4HDAC6
SCHEMBL5123646 0.84 CALCA (0.48) MCHR1HSP90AA1HSP90AB1MLLT1ALDH1A1
SCHEMBL5128788 0.84 CYP2C9 (0.42) ALDH1A1CALCATP53LMNA
SCHEMBL5129782 0.83 HSP90AA1 (0.46) MCHR1HSP90AA1HSP90AB1MLLT1HDAC4

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 MCHR1 4469/4885HSP90AA1 2963/4885HSP90AB1 2871/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MCHR1 4378/4885HSP90AA1 2924/4885HSP90AB1 2867/4885

“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.