SCHEMBL5128752

SCHEMBL5128752

Cc1nc(CNC(=O)c2nc(-c3cccs3)nc(O)c2O)cs1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
NPC1 O15118 6/20 0.53
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 6/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ERCC1 P07992 3/20 0.43
FEN1 P39748 3/20 0.43
ERCC4 Q92889 3/20 0.43
DNASE1 P24855 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
SCHEMBL5121846 0.85 KDM4E (0.62) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5121684 0.85 NPC1 (0.45) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5123552 0.84 SMN1; SMN2 (0.61) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5129249 0.83 ERCC1 (0.53) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5114712 0.83 POLB (0.53) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5139628 0.82 LMNA (0.63) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5113712 0.81 SMN1; SMN2 (0.47) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5121455 0.81 ALDH1A1 (0.50) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5129513 0.81 KMT2A (0.64) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL5127644 0.81 POLB (0.43) KDM4ENPC1ALDH1A1RAB9ALMNA

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 10 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-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 KDM4E 414/4885NPC1 2830/4885ALDH1A1 1079/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KDM4E 337/4885NPC1 3019/4885ALDH1A1 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.