SCHEMBL8306098

SCHEMBL8306098

CCCCOCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
HPRT1 P00492 4/20 0.39
PNP P00491 6/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
YTHDC1 Q96MU7 4/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 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 0.85 P2RX7 (0.43) P2RX7HPRT1PNPUSP2TSHR
SCHEMBL3267555 0.85 P2RX7 (0.43) P2RX7HPRT1PNPUSP2TSHR
SCHEMBL10997483 0.83 TSHR (0.50) P2RX7HPRT1PNPUSP2TSHR
SCHEMBL5161283 0.80 HDAC1 (0.49) P2RX7TSHRHDAC1HDAC2YTHDC1
SCHEMBL18832304 0.80 P2RX7 (0.48) P2RX7YTHDC1HSP90AA1HSP90AB1
SCHEMBL11244724 0.80 MEN1 (0.57) P2RX7HPRT1PNPUSP2TSHR
SCHEMBL5161068 0.79 HDAC1 (0.51) P2RX7TSHRHDAC1HDAC2YTHDC1
SCHEMBL8306393 0.78 CNOT7 (0.34) P2RX7HSD17B10
SCHEMBL5158596 0.78 P2RX7 (0.49) P2RX7HDAC1HDAC2YTHDC1HSP90AA1
SCHEMBL30332411 0.78 P2RX7 (0.49) P2RX7HDAC1HDAC2YTHDC1HSP90AA1

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-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 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 (1 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-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 P2RX7 491/4885HPRT1 3466/4885PNP 177/4885

“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.