SCHEMBL84601

SCHEMBL84601

[2H]C([2H])([2H])Oc1nc(B2OC(C)(C)C(C)(C)O2)cnc1N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL69477 0.90 ALPL (0.33) PDGFRBKDR
SCHEMBL11978298 0.81 PIK3CA (0.34) PDGFRBKDRAAK1
SCHEMBL3145752 0.78 PIK3CA (0.37)
SCHEMBL3136789 0.77 PIK3CA (0.38) PDGFRBKDRAAK1
SCHEMBL24215357 0.75 ALPL (0.37) AAK1
SCHEMBL15181587 0.75 PDGFRB (0.33) PDGFRBKDR
SCHEMBL26916536 0.73 NUDT1 (0.35) PDGFRBKDR
SCHEMBL26916529 0.73 NUDT1 (0.35) PDGFRBKDR
SCHEMBL29273486 0.71 KDM4C (0.37)
SCHEMBL31272411 0.70 PDGFRB (0.38) PDGFRBKDR

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PDGFRB 2417/4885KDR 1094/4885AAK1 718/4885

“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.