SCHEMBL6843715

SCHEMBL6843715

CN1CN(CC=CCl)c2c1nc[nH]c2=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL15468376 0.75 ALDH1A1 (0.39) HPRT1ALDH1A1
SCHEMBL31404902 0.61 PDE4A (0.31)
SCHEMBL31685332 0.59 MEN1 (0.34) ALDH1A1
SCHEMBL1866525 0.59 HPRT1 (0.58) HPRT1ALDH1A1
SCHEMBL21383159 0.58 HPRT1 (0.48) HPRT1ALDH1A1
SCHEMBL24139276 0.55 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7523120 0.55 CRBN (0.35)
SCHEMBL7523123 0.55 CRBN (0.35)
SCHEMBL2913487 0.55 HPRT1 (0.59) HPRT1
SCHEMBL24139720 0.54 ALDH1A1 (0.37) ALDH1A1

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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HPRT1 32/4885ALDH1A1 241/4885

“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.