SCHEMBL4358173

SCHEMBL4358173

O=C(O)/C(O)=C/C(=O)c1nc2cncnc2n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.55
CYP2C9 P11712 19/20 0.55
CYP2C19 P33261 18/20 0.55
LMNA P02545 6/20 0.55
CYP3A4 P08684 17/20 0.54
USP2 O75604 17/20 0.54
ALDH1A1 P00352 9/20 0.54
MAPK1 P28482 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 1/20 0.53
HBB P68871 1/20 0.53
CYP2D6 P10635 5/20 0.53
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4358177 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL13751333 0.88 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL13751350 0.76 HPGD (0.43) LMNAUSP2ALDH1A1MAPK1HSD17B10
SCHEMBL4353921 0.74 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4353925 0.74 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL782939 0.73 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4343779 0.73 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4347607 0.72 ADORA2A (0.64) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL13751318 0.65 ADORA2A (0.54) MAPK1HPGD
SCHEMBL9483669 0.65 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569573-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-08-04 US disclosed
US-7569573-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-08-04 US disclosed
US-7569573-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-08-04 US disclosed
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2007-11-08 US disclosed
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2007-11-08 US disclosed
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2007-11-08 US disclosed
EP-1848697-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-10-31 EP disclosed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO disclosed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO disclosed
US-7250421-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-07-31 US disclosed
US-7250421-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-07-31 US disclosed
US-7250421-B2 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-07-31 US disclosed
US-20060223834-A1 Diketo acids on nucleobase scaffolds as inhibitors of Flaviviridae UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
WO-2006083553-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2006-08-10 WO disclosed
US-20060172973-A1 Nucleobase substituted with a 2-hydroxy-4-oxobut-2-enoic acid or ester or a 1-hydroxy-3-oxopropenephosphonic acid or ester, e.g., Methyl 4-(1,3-dibenzyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-5-yl)-2-hydroxy-4-oxobut-2-enoate UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2006-08-03 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 (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-20060223834-A1 Diketo acids on nucleobase scaffolds as inhibitors of Flaviviridae EIF2AK2, DCK, RNGTT CYP1A2 2697/4885CYP2C9 1811/4885CYP2C19 3330/4885
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase DCK, DTYMK, DUT CYP1A2 4068/4885CYP2C9 3675/4885CYP2C19 4016/4885
US-20060172973-A1 Nucleobase substituted with a 2-hydroxy-4-oxobut-2-enoic acid or ester or a 1-hydroxy-3-oxopropenephosphonic acid or ester, e.g., Methyl 4-(1,3-dibenzyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-5-yl)-2-hydroxy-4-oxobut-2-enoate DUT, DERA, DCK CYP1A2 3835/4885CYP2C9 3214/4885CYP2C19 3368/4885

“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.