SCHEMBL21273565

SCHEMBL21273565

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCC(=O)O.[MgH2]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.86
▸ AXL P30530 8/20 0.86
▸ KDR P35968 7/20 0.86
▸ MERTK Q12866 6/20 0.78
▸ FLT3 P36888 4/20 0.76
▸ RET P07949 3/20 0.76
▸ KIT P10721 3/20 0.76
▸ HDAC2 Q92769 2/20 0.76
▸ HDAC8 Q9BY41 2/20 0.76
▸ HDAC6 Q9UBN7 2/20 0.76
▸ PDGFRB P09619 2/20 0.76
▸ HDAC10 Q969S8 1/20 0.74
▸ HDAC11 Q96DB2 1/20 0.74
▸ AURKB Q96GD4 4/20 0.71
▸ FLT1 P17948 3/20 0.71
▸ AURKA O14965 2/20 0.71
▸ RIPK2 O43353 2/20 0.71
▸ ABL1 P00519 2/20 0.71
▸ EGFR P00533 2/20 0.71
▸ ERBB2 P04626 2/20 0.71

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
SCHEMBL20096226 0.99 MET (0.87) METAXLKDRMERTKFLT3
SCHEMBL28438360 0.98 MET (0.86) METAXLKDRMERTKFLT3
SCHEMBL28434315 0.98 MET (0.86) METAXLKDRMERTKFLT3
Ammonia Solution, Strong SCHEMBL21273529 0.98 MET (0.86) METAXLKDRMERTKFLT3
Ammonia Solution, Strong SCHEMBL28439924 0.98 MET (0.86) METAXLKDRMERTKFLT3
SCHEMBL28442245 0.98 MET (0.86) METAXLKDRMERTKFLT3
SCHEMBL21273521 0.98 MET (0.86) METAXLKDRMERTKFLT3
SCHEMBL21273484 0.95 MET (0.79) METAXLKDRMERTKFLT3
SCHEMBL28441633 0.95 MET (0.79) METAXLKDRMERTKFLT3
SCHEMBL21291871 0.94 MET (0.75) METAXLKDRMERTKFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109496212-B Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition and application thereof 北京康辰药业股份有限公司 2020-08-14 — — CN claimed
US-10723701-B2 Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, pharmaceutical composition of the same, and use of the same BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2020-07-28 — — US claimed
EP-3530654-A1 QUINOLINYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Beijing Konruns Pharmaceutical Co., Ltd. (CN) 2019-08-28 — — EP claimed
US-20190256470-A1 QUINOLYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION OF THE SAME, AND USE OF THE SAME BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2019-08-22 — — US claimed
CN-109496212-B Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition and application thereof 北京康辰药业股份有限公司 2020-08-14 — — CN disclosed
US-10723701-B2 Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, pharmaceutical composition of the same, and use of the same BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2020-07-28 — — US disclosed
EP-3530654-A1 QUINOLINYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Beijing Konruns Pharmaceutical Co., Ltd. (CN) 2019-08-28 — — 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 (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-10723701-B2 Quinolyl-substituted carboxylic acid compound or pharmaceutically acceptable salt thereof, pharmaceutical composition of the same, and use of the same AXL, JAK2, ABL1 MET 129/4885AXL 1/4885KDR 21/4885
US-20190256470-A1 QUINOLYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION OF THE SAME, AND USE OF THE SAME AXL, JAK2, ABL1 MET 130/4885AXL 1/4885KDR 21/4885

“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.

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