SCHEMBL1933264

SCHEMBL1933264

Nc1ncnc2c1c(I)cn2[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 13/20 0.63
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
SRC P12931 2/20 0.55
FLT3 P36888 2/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
SIK1 P57059 1/20 0.55
RIPK4 P57078 1/20 0.55
DDR1 Q08345 1/20 0.55
RIPK1 Q13546 1/20 0.55
DSTYK Q6XUX3 1/20 0.55
RIPK3 Q9Y572 1/20 0.55
ADK P55263 3/20 0.53
PIKFYVE Q9Y2I7 2/20 0.53
DAPK3 O43293 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL1933267 1.00 RIPK2 (0.63) RIPK2MTORRAB9ASRCFLT3
SCHEMBL16237288 0.94 SRC (0.59) RIPK2MTORRAB9ASRCFLT3
SCHEMBL30155310 0.88 ABL1 (0.64) MTORRAB9ASRCFLT3PDGFRB
SCHEMBL29484468 0.88 SRC (0.61) MTORRAB9ASRCFLT3PDGFRB
SCHEMBL400626 0.88 SRC (0.61) MTORRAB9ASRCFLT3PDGFRB
SCHEMBL1940882 0.88 ABL1 (0.64) MTORRAB9ASRCFLT3PDGFRB
SCHEMBL9950847 0.87 ADK (0.62) RIPK2MTORRAB9ASRCFLT3
SCHEMBL9950846 0.87 ADK (0.62) RIPK2MTORRAB9ASRCFLT3
SCHEMBL17818397 0.87 ABL1 (0.63) MTORRAB9ASRCFLT3PDGFRB
SCHEMBL19743265 0.86 SRC (0.52) RIPK2MTORRAB9ASRCFLT3

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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
CN-102712648-A Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG 2012-10-03 CN disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI RIPK2 4726/4885MTOR 926/4885RAB9A 3325/4885

“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.