SCHEMBL10101915

SCHEMBL10101915

COCCOCCOCCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.78
LCK P06239 2/20 0.77
FBP1 P09467 2/20 0.73
FLT1 P17948 2/20 0.73
FGFR1 P11362 1/20 0.73
KDR P35968 7/20 0.72
AURKA O14965 2/20 0.64
ERBB2 P04626 2/20 0.64
GAK O14976 2/20 0.64
PLK4 O00444 1/20 0.64
CIT O14578 1/20 0.64
EPHB6 O15197 1/20 0.64
SLC22A1 O15245 1/20 0.64
DAPK3 O43293 1/20 0.64
RIPK2 O43353 1/20 0.64
BUB1 O43683 1/20 0.64
KDM1A O60341 1/20 0.64
JAK2 O60674 1/20 0.64
RPS6KA4 O75676 1/20 0.64
STK17B O94768 1/20 0.64

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
SCHEMBL14551678 0.94 FBP1 (0.77) EGFRLCKFBP1FLT1FGFR1
SCHEMBL10106511 0.92 EGFR (0.75) EGFRLCKFBP1FLT1FGFR1
SCHEMBL10101851 0.90 EGFR (0.71) EGFRLCKFBP1FLT1FGFR1
SCHEMBL5482884 0.88 EGFR (1.00) EGFRLCKFBP1FLT1FGFR1
Hydrochloric Acid SCHEMBL5475745 0.87 EGFR (1.00) EGFRLCKFBP1FLT1FGFR1
SCHEMBL4471854 0.86 KDR (0.69) EGFRLCKFBP1FLT1FGFR1
SCHEMBL2099775 0.85 EGFR (0.83) EGFRLCKFBP1FLT1FGFR1
SCHEMBL12694351 0.85 EGFR (0.67) EGFRLCKFBP1FLT1FGFR1
SCHEMBL22367416 0.85 FBP1 (1.00) EGFRLCKFBP1FLT1FGFR1
SCHEMBL668572 0.84 EGFR (0.81) EGFRLCKFBP1FLT1FGFR1

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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 EGFR 768/4885LCK 4032/4885FBP1 3262/4885

“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.