SCHEMBL1749459

SCHEMBL1749459

NC(=O)c1nc2n(c(=O)c1O)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 10/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 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
SCHEMBL4319341 0.98 MAPK1 (0.52) MAPK1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL12529289 0.81 MAPK1 (0.47) MAPK1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL1750708 0.81 MAPK1 (0.47) MAPK1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL1749829 0.80 MAPK1 (0.49) MAPK1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL20379181 0.78 MAPK1 (0.61) MAPK1MEN1KMT2AHDAC6ALDH1A1
Hydrochloric Acid SCHEMBL3433344 0.77 MAPK1 (0.50) MAPK1MEN1KMT2AHDAC6ALDH1A1
Hydrochloric Acid SCHEMBL30688337 0.77 MAPK1 (0.59) MAPK1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL1750234 0.76 MAPT (0.45) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13824130 0.76 ALDH1A1 (0.44) MAPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1752756 0.74 MAPT (0.43) MAPK1MEN1KMT2AHDAC6ALDH1A1

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-20090136570-A1 Taste-Masked Tablets and Granules UNIVERSITAT ZURICH (CH) 2009-05-28 US claimed
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-20090136570-A1 Taste-Masked Tablets and Granules UNIVERSITAT ZURICH (CH) 2009-05-28 US 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 (3 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 MAPK1 1788/4885MEN1 4089/4885KMT2A 1885/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD MAPK1 2066/4885MEN1 4369/4885KMT2A 1744/4885
US-20090136570-A1 Taste-Masked Tablets and Granules TAS2R30, TAS2R40, TAS2R42 MAPK1 2705/4885MEN1 4028/4885KMT2A 146/4885

“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.