SCHEMBL18256602

SCHEMBL18256602

Cn1c(=O)n(CC2CCOC2)c(=O)c2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 9/20 0.46
PIK3CA P42336 8/20 0.42
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PRKDC P78527 1/20 0.38
NAMPT P43490 1/20 0.38
USP1 O94782 1/20 0.38

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
SCHEMBL18256610 0.93 PIK3CA (0.43) PARGPIK3CAPRKDC
SCHEMBL18256611 0.91 PARG (0.46) PARGPIK3CAERCC5FEN1PRKDC
SCHEMBL18256587 0.85 MTOR (0.44) PARGPIK3CAPRKDC
SCHEMBL18256612 0.84 PIK3CA (0.43) PARGPIK3CAPRKDC
SCHEMBL18256588 0.80 PARG (0.41) PARGPIK3CA
SCHEMBL18256616 0.78 PIK3CA (0.43) PARGPIK3CA
SCHEMBL18256629 0.78 FEN1 (0.49) PARGPIK3CAFEN1
SCHEMBL18256614 0.77 PARG (0.43) PARGPIK3CAERCC5FEN1PRKDC
SCHEMBL18256631 0.76 BRD4 (0.43) PIK3CANAMPT
SCHEMBL18256684 0.76 MTOR (0.44) PARGPIK3CAPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 US disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A PARG 1778/4885PIK3CA 1359/4885ERCC5 1254/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A PARG 1778/4885PIK3CA 1359/4885ERCC5 1254/4885

“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.