SCHEMBL1752707

SCHEMBL1752707

C=CCOC(=O)c1nc2n(c(=O)c1O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
POLB P06746 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GOPC Q9HD26 1/20 0.35

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
SCHEMBL1752756 0.96 MAPT (0.43) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL1752743 0.95 ALDH1A1 (0.45) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL1750234 0.79 MAPT (0.45) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL1750708 0.75 MAPK1 (0.47) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL13824130 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL1749459 0.70 MAPK1 (0.50) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL4319341 0.69 MAPK1 (0.52) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL13824168 0.68 HSD17B10 (0.56) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL12529289 0.67 MAPK1 (0.47) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL13823942 0.65 MAPT (0.49) MAPTKDM4EALDH1A1RAB9ANPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
EP-1578748-B1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2010-09-15 EP disclosed
US-7414045-B2 Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-08-19 US disclosed
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors MSD ITALIA S.R.L. (IT) 2008-07-24 US disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 US disclosed
EP-1578748-A1 TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-09-28 EP disclosed
WO-2004058756-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO disclosed
WO-2004058757-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 WO 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-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors TYMS, TYMP, HPRT1 MAPT 1213/4885KDM4E 919/4885ALDH1A1 2238/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD MAPT 1773/4885KDM4E 802/4885ALDH1A1 1924/4885

“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.