SCHEMBL3433600

SCHEMBL3433600

Nc1nc2ncn(Cc3ccccc3)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 2/20 0.46
PDE5A O76074 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PNP P00491 3/20 0.46
PARN O95453 1/20 0.45
CNOT7 Q9UIV1 1/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2776927 0.92 SMN1; SMN2 (0.46) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL20969999 0.91 SMN1; SMN2 (0.45) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL23115569 0.86 SMN1; SMN2 (0.50) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL3425174 0.86 PDE5A (0.46) SMN1; SMN2POLBHIF1AALDH1A1KMT2A
SCHEMBL6797064 0.86 GAA (0.43) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL28814905 0.85 GAA (0.59) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL7437138 0.85 SMN1; SMN2 (0.51) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL7983821 0.84 PDE4A (0.45) SMN1; SMN2GAAPOLBHIF1AALDH1A1
SCHEMBL1573111 0.84 PDE5A (0.51) GAAPOLBALDH1A1KMT2APDE5A
SCHEMBL5798036 0.83 HPGD (0.47) SMN1; SMN2GAAPOLBHIF1AALDH1A1

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-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 SMN1; SMN2 4215/4885GAA 1247/4885POLB 1180/4885

“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.