SCHEMBL16660323

SCHEMBL16660323

COCCOc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OCCOC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.77
KDR P35968 5/20 0.77
GAK O14976 3/20 0.75
RIPK2 O43353 2/20 0.75
STK10 O94804 2/20 0.75
RET P07949 2/20 0.75
FLT3 P36888 2/20 0.75
JAK3 P52333 2/20 0.75
AAK1 Q2M2I8 2/20 0.75
SLK Q9H2G2 2/20 0.75
ALK Q9UM73 2/20 0.75
KDM1A O60341 2/20 0.75
Q6ZSR9 Q6ZSR9 1/20 0.75
IRAK4 Q9NWZ3 1/20 0.75
RPS6KA6 Q9UK32 1/20 0.75
LCK P06239 2/20 0.73
FLT1 P17948 2/20 0.72
FGFR1 P11362 1/20 0.72
HDAC3 O15379 1/20 0.67
HDAC1 Q13547 1/20 0.67

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
SCHEMBL18447218 0.89 KDM1A (0.77) EGFRKDRGAKRIPK2STK10
SCHEMBL7708517 0.88 EGFR (0.77) EGFRKDRGAKKDM1ALCK
SCHEMBL28105746 0.88 KDR (0.75) EGFRKDRGAKKDM1AFLT1
SCHEMBL20805304 0.88 EGFR (0.77) EGFRKDRGAKRIPK2STK10
SCHEMBL4477758 0.86 EGFR (0.77) EGFRKDRGAKRIPK2STK10
Whi-P131 SCHEMBL29295 0.86 EGFR (1.00) EGFRKDRGAKRIPK2STK10
Whi-P131 SCHEMBL29369589 0.86 EGFR (1.00) EGFRKDRGAKRIPK2STK10
SCHEMBL22381430 0.86 KDM1A (0.72) EGFRKDRGAKRIPK2STK10
SCHEMBL13219733 0.85 EGFR (0.78) EGFRKDRGAKRIPK2STK10
Whi-P131 SCHEMBL6068752 0.85 EGFR (1.00) EGFRKDRGAKRIPK2STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759764-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-09-01 US disclosed
US-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
US-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
WO-2015058047-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-23 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 (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-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS FLI1, SLCO2B1, SLCO1B3 EGFR 505/4885KDR 2531/4885GAK 1987/4885
US-10759764-B2 Fluorination of organic compounds FLI1, SLCO2B1, SLCO1B3 EGFR 505/4885KDR 2531/4885GAK 1987/4885

“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.