SCHEMBL2806447

SCHEMBL2806447

Cc1ccc([N+](=O)[O-])c(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.51
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 2/20 0.43
PRKCQ Q04759 1/20 0.39
KAT2B Q92831 3/20 0.38
PRMT1 Q99873 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2806355 0.91 TDO2 (0.43) SLC29A1NPC1ALDH1A1HTTEGFR
SCHEMBL4922340 0.87 MAPT (0.49) SLC29A1ALDH1A1HTTEGFRPRKCQ
SCHEMBL4916438 0.84 EGFR (0.56) SLC29A1ALDH1A1HTTEGFRPRKCQ
SCHEMBL2806449 0.83 PRMT1 (0.59) SLC29A1NPC1HTTPRKCQPRMT1
SCHEMBL4916234 0.82 SLC29A1 (0.51) SLC29A1NPC1ALDH1A1HTTEGFR
SCHEMBL4924793 0.81 IDO1 (0.46) ALDH1A1EGFRTSHRCYP3A4
SCHEMBL2805416 0.81 PRMT1 (0.42) NPC1ALDH1A1HTTEGFRPRMT1
SCHEMBL4920745 0.81 EGFR (0.43) SLC29A1NPC1ALDH1A1HTTEGFR
SCHEMBL2809181 0.80 NPSR1 (0.48) ALDH1A1PRMT1
SCHEMBL4920708 0.80 EGFR (0.42) SLC29A1NPC1ALDH1A1HTTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203451-B1 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2014-07-30 EP disclosed
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives FREIE UNIVERSITAT BERLIN (DE) 2010-09-23 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-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 SLC29A1 26/4885NPC1 2741/4885ALDH1A1 1244/4885

“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.