SCHEMBL4668514

SCHEMBL4668514

COc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.74
EGFR P00533 3/20 0.66
LCK P06239 2/20 0.66
RET P07949 1/20 0.59
KIF5B P33176 1/20 0.59
PDGFRA P16234 2/20 0.57
FLT4 P35916 2/20 0.57
KIT P10721 1/20 0.57
FLT1 P17948 1/20 0.57
AURKA O14965 1/20 0.54
MET P08581 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
CSF1R P07333 2/20 0.53
PDGFRB P09619 1/20 0.53
FLT3 P36888 1/20 0.53
TRPA1 O75762 1/20 0.52
BRAF P15056 1/20 0.52

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
SCHEMBL31616965 1.00 KDR (0.74) KDREGFRLCKRETKIF5B
SCHEMBL15962830 0.91 KDR (0.63) KDREGFRLCKRETKIF5B
SCHEMBL18023873 0.91 KDR (0.61) KDREGFRLCKRETKIF5B
SCHEMBL1012099 0.90 KDR (0.70) KDREGFRLCKRETKIF5B
SCHEMBL4360537 0.90 KDR (0.65) KDREGFRLCKRETKIF5B
SCHEMBL5202698 0.89 KDR (0.61) KDREGFRLCKRETKIF5B
SCHEMBL5824492 0.88 LCK (0.67) KDREGFRLCKRETKIF5B
SCHEMBL5201680 0.86 KDR (0.65) KDREGFRLCKRETKIF5B
SCHEMBL5206218 0.85 KDR (0.74) KDREGFRLCKRETKIF5B
SCHEMBL15960748 0.85 KDR (0.53) KDREGFRLCKRETKIF5B

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956138-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2022-06-22 EP disclosed
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
US-10966987-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2020-02-20 US disclosed
US-10398703-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-18 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2003-05-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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 (11 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-10966987-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KDR 5/4885EGFR 20/4885LCK 210/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 KDR 3106/4885EGFR 2835/4885LCK 2211/4885
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS KDR 3455/4885EGFR 2691/4885LCK 2024/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 KDR 4095/4885EGFR 829/4885LCK 4329/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS KDR 3455/4885EGFR 2691/4885LCK 2024/4885

“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.