SCHEMBL2809323

SCHEMBL2809323

O=C(O)N1Cc2cnc(N3CCOCC3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.44
PTPN11 Q06124 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSP90AB1 P08238 5/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2806421 0.87 HSP90AA1 (0.49) HSP90AA1POLBALDH1A1PTPN11HSP90AB1
SCHEMBL2806500 0.85 HSP90AA1 (0.52) HSP90AA1POLBALDH1A1HSP90AB1MAPT
SCHEMBL8195614 0.85 HSP90AA1 (0.51) HSP90AA1POLBALDH1A1PTPN11KDM4E
SCHEMBL17624125 0.79 HSP90AB1 (0.50) HSP90AA1POLBALDH1A1KDM4EHSP90AB1
SCHEMBL8203593 0.78 ALDH1A1 (0.45) POLBALDH1A1KDM4EKMT2AMAPT
SCHEMBL8195601 0.76 KMO (0.51) POLBALDH1A1KDM4EMAPT
SCHEMBL1017921 0.75 MAPT (0.77) HSP90AA1HSP90AB1MAPT
SCHEMBL13223161 0.74 HSP90AA1 (0.41) HSP90AA1POLBALDH1A1KDM4EHSP90AB1
SCHEMBL19498179 0.74 HSP90AB1 (0.47) HSP90AA1POLBALDH1A1KDM4EHSP90AB1
SCHEMBL19504884 0.74 HSP90AB1 (0.55) HSP90AA1POLBALDH1A1KDM4EHSP90AB1

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
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSP90AA1 2838/4885POLB 1368/4885ALDH1A1 302/4885

“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.