SCHEMBL21110441

SCHEMBL21110441

CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCO)c3)ncc2F)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.80
EGFR P00533 9/20 0.79
ITK Q08881 7/20 0.79
CCNT1 O60563 2/20 0.60
CCNE1 P24864 2/20 0.60
CDK2 P24941 2/20 0.60
CDK9 P50750 2/20 0.60
BTK Q06187 3/20 0.60
JAK2 O60674 1/20 0.60
LYN P07948 1/20 0.60
TEC P42680 1/20 0.60
TXK P42681 1/20 0.60
BMX P51813 1/20 0.60
JAK3 P52333 1/20 0.60
CD69 Q07108 1/20 0.60

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
SCHEMBL656511 0.90 SYK (1.00) SYKEGFRITK
SCHEMBL12519538 0.89 EGFR (1.00) SYKEGFRITKBTKJAK2
SCHEMBL29722231 0.89 EGFR (1.00) SYKEGFRITKBTKJAK2
SCHEMBL655281 0.87 EGFR (0.69) SYKEGFRITKCCNT1CCNE1
SCHEMBL655884 0.85 SYK (0.85) SYKEGFRITKBTK
SCHEMBL653838 0.85 SYK (1.00) SYKEGFRITK
SCHEMBL20216164 0.84 EGFR (0.83) SYKEGFRITKBTK
SCHEMBL20216167 0.83 EGFR (0.83) SYKEGFRITKBTK
SCHEMBL15814036 0.82 EGFR (0.88) EGFRITKBTKJAK2LYN
SCHEMBL656819 0.82 SYK (0.79) SYKEGFRITKBTKJAK2

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-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 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-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK SYK 610/4885EGFR 460/4885ITK 317/4885

“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.