SCHEMBL21909262

SCHEMBL21909262

Nc1cc(F)c(Oc2ncccc2-c2ccnc(NC3CCCCC3)n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.50
CCNB1 P14635 5/20 0.50
CCNB2 O95067 4/20 0.50
CCNB3 Q8WWL7 4/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
JAK2 O60674 1/20 0.50
MAP4K4 O95819 1/20 0.50
INSR P06213 1/20 0.50
CSF1R P07333 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 1/20 0.50
TYK2 P29597 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
JAK3 P52333 1/20 0.50
ITK Q08881 1/20 0.50
PIM3 Q86V86 1/20 0.50

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
SCHEMBL21908732 0.94 ERN1 (0.48) CDK1CCNB1CCNB2CCNB3CDC7
SCHEMBL28545576 0.86 ERN1 (0.47) RETERN1MAPK10
SCHEMBL28545575 0.86 ERN1 (0.47) RETERN1MAPK10
SCHEMBL21908887 0.84 ERN1 (0.52) CDK1CCNB1CCNB2CCNB3CDC7
SCHEMBL25071801 0.83 ERN1 (0.46) RETERN1MAPK10
SCHEMBL21909261 0.83 ERN1 (0.46) RETERN1MAPK10
SCHEMBL28554822 0.83 ERN1 (0.46) RETERN1MAPK10
SCHEMBL21908898 0.82 ERN1 (0.44) CDK1CCNB1CCNB2CCNB3CDC7
SCHEMBL21908724 0.82 ERN1 (0.54) CDK1CCNB1CCNB2CCNB3CDC7
SCHEMBL25071800 0.81 ERN1 (0.57) ERN1MAPK10

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-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US disclosed
WO-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 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-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE XBP1, ERN1, ESR2 CDK1 665/4885CCNB1 3205/4885CCNB2 3120/4885

“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.