SCHEMBL17880889

SCHEMBL17880889

CCc1cn(COCCO)c(=O)nc1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
UPP1 Q16831 1/20 0.40
HTT P42858 1/20 0.33

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
SCHEMBL8845705 0.81 PNP (0.44) PNPUSP2TSHREDNRAHTR2A
SCHEMBL8845431 0.75 PNP (0.39) PNPUSP2TSHREDNRAHTR2A
SCHEMBL18890917 0.75 PNP (0.41) PNPUSP2TSHREDNRAHTR2A
SCHEMBL14612879 0.72 EP300 (0.40) PNPUSP2TSHREDNRAHTR2A
SCHEMBL8845687 0.72 FGFR1 (0.47) PNPUSP2TSHREDNRAHTR2A
Phosphoric Acid SCHEMBL9369722 0.71 PNP (0.37) PNPUSP2TSHREDNRAHTR2A
SCHEMBL8845576 0.69 USP2 (0.33) PNPUSP2TSHREDNRAHTR2A
SCHEMBL19242440 0.69 EP300 (0.44)
SCHEMBL12741705 0.69 EP300 (0.40) PNPUSP2TSHREDNRAHTR2A
SCHEMBL12741713 0.69 EP300 (0.42) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-30 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 (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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE OR10J3, CCR3, GPR3 PNP 4354/4885USP2 4120/4885TSHR 131/4885

“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.