SCHEMBL20049960

SCHEMBL20049960

C[C@H](Nc1nc(N)ncc1F)C(C)(C)S

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.44
NUDT1 P36639 2/20 0.38
SYK P43405 2/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
PDGFRA P16234 1/20 0.31
FEN1 P39748 4/20 0.30
ALOX5AP P20292 2/20 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
SCHEMBL179356 0.88 BCL6 (0.46) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL179464 0.88 BCL6 (0.46) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL179505 0.88 BCL6 (0.46) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL2745520 0.80 BCL6 (0.51) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL18855175 0.78 BCL6 (0.49) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL18879368 0.78 BCL6 (0.49) BCL6NUDT1SYKP2RX3P2RX2
SCHEMBL9925932 0.75 BCL6 (0.46) BCL6NUDT1SYK
SCHEMBL9925942 0.75 BCL6 (0.46) BCL6NUDT1SYK
SCHEMBL218364 0.75 BCL6 (0.46) BCL6NUDT1SYK
SCHEMBL179460 0.75 BCL6 (0.43) BCL6NUDT1SYKFEN1ALOX5AP

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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 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 (2 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A BCL6 3204/4885NUDT1 1283/4885SYK 475/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BCL6 438/4885NUDT1 1970/4885SYK 784/4885

“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.