SCHEMBL17213618

SCHEMBL17213618

Cn1c(=O)c2[nH]c(NCCN3CCOCC3)nc2n(C)c1=O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.87
GAA P10253 6/20 0.62
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
PIM1 P11309 2/20 0.55
ADORA2A P29274 4/20 0.53
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2B P29275 1/20 0.53
ALOX15 P16050 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL24559426 0.93 POLB (1.00) POLBGAAHTTUSP2RECQL
SCHEMBL24559315 0.88 POLB (0.68) POLBGAAHTTUSP2RECQL
SCHEMBL15749725 0.81 POLB (0.59) POLBGAAPIM1ADORA2AADORA1
SCHEMBL10812553 0.79 GAA (0.70) POLBGAAHTTUSP2RECQL
SCHEMBL17213617 0.78 GAA (0.66) POLBGAAHTTUSP2RECQL
SCHEMBL15749724 0.78 GAA (0.65) POLBGAAHTTUSP2RECQL
SCHEMBL3649360 0.78 POLB (0.61) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL24559433 0.76 CYP2C9 (0.79) POLBGAAADORA2AADORA1ADORA3
SCHEMBL15750029 0.76 GAA (0.66) POLBGAAHTTUSP2RECQL
SCHEMBL15749705 0.76 GAA (0.62) POLBGAAHTTUSP2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109892-A1 POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH 2024-04-04 US disclosed
WO-2022159818-A1 POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-28 WO disclosed
WO-2022159818-A1 POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-28 WO disclosed
US-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 US disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 WO disclosed
US-9546176-B2 Small molecule bicyclic and tricyclic CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-01-17 US disclosed
US-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-29 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-20240109892-A1 POLY(ADP-RIBOSE) GLYCOHYDROLASE (PARG) INHIBITORS AGAINST COVID MACRODOMAIN AND METHODS OF USING THE SAME MACROD2, MACROD1, PARG POLB 621/4885GAA 157/4885HTT 1543/4885
US-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS CFTR, CLCN2, CLIC1 POLB 3476/4885GAA 1041/4885HTT 2076/4885
US-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG POLB 1840/4885GAA 2742/4885HTT 3550/4885

“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.