SCHEMBL4347607

SCHEMBL4347607

Brc1nc2cncnc2n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.64
ADORA1 P30542 2/20 0.64
CYP1A2 P05177 17/20 0.64
CYP2C9 P11712 16/20 0.64
CYP2C19 P33261 16/20 0.64
LMNA P02545 6/20 0.64
CYP3A4 P08684 15/20 0.62
USP2 O75604 14/20 0.62
ALDH1A1 P00352 9/20 0.62
MAPK1 P28482 5/20 0.62
HSD17B10 Q99714 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TSHR P16473 1/20 0.62
HBB P68871 1/20 0.62
CYP2D6 P10635 5/20 0.61
CASP1 P29466 1/20 0.58
RECQL P46063 1/20 0.58
CASP7 P55210 1/20 0.58
HIF1A Q16665 1/20 0.54

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
SCHEMBL21977296 0.86 CYP1A2 (0.65) ADORA2AADORA1CYP1A2CYP2C9CYP2C19
SCHEMBL782939 0.84 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4341941 0.78 ADORA2A (1.00) ADORA2AADORA1MAPK1HSD17B10TSHR
SCHEMBL2981549 0.78 ADORA2A (0.71) ADORA2AADORA1CYP1A2CYP2C9CYP2C19
SCHEMBL5128126 0.75 ADORA2A (0.66) ADORA2AADORA1MEN1KMT2A
SCHEMBL5132410 0.73 ADORA2A (0.67) ADORA2AADORA1MEN1KMT2A
SCHEMBL4358177 0.72 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4343779 0.72 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4358173 0.72 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL8880387 0.71 TNF (0.65) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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 16 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
CN-101151254-A Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase UNIV GEORGIA (US) 2008-03-26 CN 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 ADORA2A 1977/4885ADORA1 2769/4885CYP1A2 2697/4885
US-20070259823-A1 Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase DCK, DTYMK, DUT ADORA2A 2671/4885ADORA1 2078/4885CYP1A2 4068/4885
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 ADORA2A 1403/4885ADORA1 876/4885CYP1A2 3835/4885

“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.