SCHEMBL3267555

SCHEMBL3267555

C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
PNP P00491 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
YTHDC1 Q96MU7 6/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL30496451 1.00 P2RX7 (0.43) P2RX7PNPTSHRUSP2EDNRA
SCHEMBL6227235 0.89 PNP (0.40) P2RX7PNPTSHRUSP2EDNRA
SCHEMBL14916463 0.88 HSP90AB1 (0.50) PNPTSHRUSP2EDNRAHTR2A
SCHEMBL20555316 0.87 YTHDC1 (0.38) PNPTSHRUSP2EDNRAHTR2A
SCHEMBL20555334 0.86 PNP (0.36) P2RX7PNPTSHRUSP2EDNRA
SCHEMBL27228495 0.86 YTHDC1 (0.56) YTHDC1
SCHEMBL8306098 0.85 P2RX7 (0.43) P2RX7PNPTSHRUSP2EDNRA
SCHEMBL20555376 0.84 YTHDC1 (0.38) PNPTSHRUSP2EDNRAHTR2A
SCHEMBL357273 0.83 FDPS (0.45) P2RX7HDAC6
SCHEMBL31340868 0.83 FDPS (0.45) P2RX7HDAC6

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12157739-B2 Hypoxanthine compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 2024-12-03 US disclosed
WO-2024233848-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-11-14 WO disclosed
US-12110292-B2 Ligands to cereblon (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-10-08 US disclosed
CN-112638380-B Cerebellar protein (CRBN) ligands 达纳-法伯癌症研究所有限公司 2024-05-24 CN disclosed
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-05 US disclosed
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-05 US disclosed
CN-112673008-B Hypoxanthine compounds 橘生药品工业株式会社 2023-07-18 CN disclosed
US-11530219-B2 Ligands to cereblon (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 EP disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
US-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S. A. (FR) 2007-08-09 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US disclosed
EP-1597258-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-11-23 EP disclosed
WO-2004073595-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-09-02 WO disclosed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (10 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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 P2RX7 32/4885PNP 284/4885TSHR 243/4885
US-12157739-B2 Hypoxanthine compounds HPRT1, APRT, IMPDH1 P2RX7 932/4885PNP 51/4885TSHR 4650/4885
US-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A P2RX7 2152/4885PNP 837/4885TSHR 1613/4885
US-12110292-B2 Ligands to cereblon (CRBN) CRBN, CRKL, CDR2 P2RX7 1850/4885PNP 3880/4885TSHR 3242/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA P2RX7 1887/4885PNP 823/4885TSHR 4519/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT P2RX7 2001/4885PNP 827/4885TSHR 4516/4885
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) CRBN, CRKL, CDR2 P2RX7 1850/4885PNP 3880/4885TSHR 3242/4885
US-11530219-B2 Ligands to cereblon (CRBN) CRBN, CRKL, CDR2 P2RX7 1850/4885PNP 3880/4885TSHR 3242/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 P2RX7 76/4885PNP 193/4885TSHR 275/4885
US-20070185140-A1 Novel purine derivatives, method for preparing them, their application as medicinal products, pharmaceutical compositions and novel use NR4A3, NR4A1, ADORA3 P2RX7 100/4885PNP 341/4885TSHR 139/4885

“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.