SCHEMBL21959627

SCHEMBL21959627

Oc1cnc2c(ccn2C2CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
ADORA2A P29274 1/20 0.32
AURKA O14965 4/20 0.32
DGAT1 O75907 1/20 0.31
RIPK2 O43353 1/20 0.31
CDK4 P11802 3/20 0.30
GRM2 Q14416 1/20 0.30
GRM7 Q14831 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30
INSR P06213 1/20 0.30
CDK1 P06493 1/20 0.30
PDGFRB P09619 1/20 0.30
SRC P12931 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
CDK7 P50613 1/20 0.30
NTRK2 Q16620 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
SCHEMBL20673865 0.81 CHEK2 (0.35) AURKACDK4INSRCDK1PDGFRB
SCHEMBL23937774 0.76 ELANE (0.34) ELANEAURKACDK4INSRCDK1
SCHEMBL21958555 0.73 DGAT1 (0.38) AURKADGAT1RIPK2CDK4GRM2
SCHEMBL20673864 0.72 BRD9 (0.35)
SCHEMBL20674571 0.67 MAP3K5 (0.37) AURKADGAT1GRM2GRM7KDR
SCHEMBL31403604 0.66 AURKA (0.48) AURKADGAT1CDK4
SCHEMBL30480564 0.64 AURKA (0.41) ADORA2AAURKACDK4INSRCDK1
SCHEMBL18640943 0.64 PIP4K2A (0.43) ADORA2ARIPK2SRC
SCHEMBL23937881 0.64 PARP1 (0.37) AURKADGAT1CDK4GRM2GRM7
SCHEMBL21959623 0.64 PDE10A (0.32)

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ELANE 1037/4885ADORA2A 4797/4885AURKA 235/4885

“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.