SCHEMBL26010448

SCHEMBL26010448

CSc1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)CCN(C)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
GAA P10253 6/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
GLA P06280 3/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 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
SCHEMBL19617362 0.85 KMT2A (0.34) KMT2ACYP2C19CYP1A2GAATRPV1
SCHEMBL28503146 0.83 KMT2A (0.31) KMT2ACYP2C19CYP1A2GAATRPV1
SCHEMBL26010294 0.82 CYP1A2 (0.34) KMT2ACYP2C19CYP1A2GAA
SCHEMBL21777116 0.81 KMT2A (0.38) KMT2ACYP2C19CYP1A2GAA
SCHEMBL19617493 0.81 PARP1 (0.40) KMT2AKDM4EMAPT
SCHEMBL24780348 0.78 CYP1A2 (0.37) KMT2ACYP2C19CYP1A2GAA
SCHEMBL29903126 0.78 CYP1A2 (0.37) KMT2ACYP2C19CYP1A2GAA
SCHEMBL4192572 0.78 CCNA2 (0.39) KMT2ACYP2C19CYP1A2MAPTTRPV1
SCHEMBL28499362 0.77 CYP1A2 (0.34) KMT2ACYP2C19CYP1A2GAA
SCHEMBL31661054 0.77 PARP1 (0.35) KMT2ACYP2C19CYP1A2GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739102-B2 Fused pyrimidine compounds as KRAS inhibitors INCYTE CORPORATION (US) 2023-08-29 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-11739102-B2 Fused pyrimidine compounds as KRAS inhibitors KRAS, NRAS, HRAS KMT2A 3342/4885CYP2C19 3567/4885CYP1A2 4171/4885

“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.