SCHEMBL5122846

SCHEMBL5122846

O=C(NC1CCc2ccccc21)c1nc(-c2nccs2)nc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 2/20 0.46
P2RX7 Q99572 2/20 0.45
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGDS O60760 1/20 0.43
TSHR P16473 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
ADORA2A P29274 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 2/20 0.41
PDE2A O00408 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5120415 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2P2RX7HTT
SCHEMBL5129777 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2P2RX7HTT
SCHEMBL5123213 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2P2RX7HTT
SCHEMBL5127663 0.82 PDE10A (0.40) ROCK1ADORA2APDE4BPDE4DLMNA
SCHEMBL5121647 0.79 HTT (0.53) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL15522335 0.78 HTT (0.57) TAS1R3TAS1R1TAS1R2P2RX7HTT
SCHEMBL8622368 0.77 CNR1 (0.52) TAS1R3TAS1R1TAS1R2P2RX7HTT
SCHEMBL6315251 0.74 RECQL (0.46) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL6873668 0.74 CHRM4 (0.47) TAS1R3TAS1R1P2RX7HTTALDH1A1
SCHEMBL5121298 0.71 KDM4E (0.51) ALDH1A1HPGDSADORA2ALMNAKMT2A

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 TAS1R3 4069/4885TAS1R1 3890/4885TAS1R2 4012/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP TAS1R3 4050/4885TAS1R1 3988/4885TAS1R2 3985/4885

“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.