SCHEMBL13625720

SCHEMBL13625720

Nc1nc(I)nc2c1ncn2CO[C@H](CO)C(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ VCP P55072 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ AHCY P23526 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA3 P0DMS8 6/20 0.39
▸ ADORA1 P30542 3/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ SARS1 P49591 1/20 0.37
▸ PDE3A Q14432 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
SCHEMBL14393416 1.00 BLM (0.45) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10642386 0.89 CCNE1 (0.51) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL13625690 0.84 BLM (0.44) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL14393620 0.84 BLM (0.44) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL13645843 0.84 ALDH1A1 (0.44) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10284145 0.82 AHCY (0.60) ALDH1A1AHCYADORA2AADORA1
SCHEMBL14472999 0.82 AHCY (0.60) ALDH1A1AHCYADORA2AADORA1
SCHEMBL13951638 0.81 CCNE1 (0.48) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10643609 0.81 CCNE1 (0.50) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL3478702 0.79 MEN1 (0.40) BLMMEN1ALDH1A1LMNACYP3A4

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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 BLM 1318/4885MEN1 3512/4885ALDH1A1 830/4885

“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.

Send feedback