SCHEMBL20077514

SCHEMBL20077514

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCOCCC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.89
RET P07949 5/20 0.89
EGFR P00533 2/20 0.89
PLK4 O00444 1/20 0.89
GAK O14976 1/20 0.89
EPHB6 O15197 1/20 0.89
RIPK2 O43353 1/20 0.89
ERN1 O75460 1/20 0.89
STK10 O94804 1/20 0.89
MAP4K4 O95819 1/20 0.89
CHEK2 O96017 1/20 0.89
ABL1 P00519 1/20 0.89
ERBB2 P04626 1/20 0.89
LCK P06239 1/20 0.89
FYN P06241 1/20 0.89
CSF1R P07333 1/20 0.89
YES1 P07947 1/20 0.89
LYN P07948 1/20 0.89
MET P08581 1/20 0.89
HCK P08631 1/20 0.89

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
SCHEMBL19668834 0.95 KDR (0.86) KDRRETEGFRPLK4GAK
Cediranib SCHEMBL29368143 0.94 KDR (1.00) KDRRETEGFRPLK4GAK
Cediranib SCHEMBL29351458 0.94 KDR (1.00) KDRRETEGFRPLK4GAK
Cediranib SCHEMBL29383181 0.94 KDR (1.00) KDRRETEGFRPLK4GAK
Cediranib SCHEMBL63147 0.94 KDR (1.00) KDRRETEGFRPLK4GAK
SCHEMBL1685423 0.94 ABCB11 (1.00) KDRRETEGFRPLK4GAK
SCHEMBL13471998 0.90 KDR (0.89) KDRRETEGFRPLK4GAK
SCHEMBL3198096 0.90 KDR (0.89) KDRRETEGFRPLK4GAK
SCHEMBL1401668 0.90 KDR (0.89) KDRRETEGFRPLK4GAK
SCHEMBL1401641 0.90 KDR (0.88) KDRRETEGFRPLK4GAK

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-10285991-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180104246-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-04-19 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-10285991-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 KDR 4398/4885RET 2685/4885EGFR 1282/4885
US-20180104246-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4398/4885RET 2685/4885EGFR 1282/4885

“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.