SCHEMBL21273508

SCHEMBL21273508

CCN(CC)CC.CCOc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.72
▸ HDAC8 Q9BY41 2/20 0.72
▸ HDAC6 Q9UBN7 2/20 0.72
▸ HDAC10 Q969S8 1/20 0.72
▸ HDAC11 Q96DB2 1/20 0.72
▸ MET P08581 15/20 0.68
▸ AXL P30530 9/20 0.68
▸ KDR P35968 8/20 0.68
▸ RET P07949 3/20 0.68
▸ KIT P10721 3/20 0.68
▸ FLT3 P36888 3/20 0.68
▸ PDGFRB P09619 2/20 0.68
▸ MERTK Q12866 6/20 0.62
▸ AURKA O14965 2/20 0.62
▸ RIPK2 O43353 2/20 0.62
▸ ABL1 P00519 2/20 0.62
▸ EGFR P00533 2/20 0.62
▸ ERBB2 P04626 2/20 0.62
▸ NTRK1 P04629 2/20 0.62
▸ LCK P06239 2/20 0.62

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
SCHEMBL21273594 1.00 HDAC2 (0.72) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28437519 1.00 HDAC2 (0.72) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28441627 1.00 HDAC2 (0.72) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28446176 0.99 HDAC2 (0.71) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL21273534 0.99 HDAC2 (0.71) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL21273473 0.97 MET (0.71) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL28444348 0.97 MET (0.71) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL21273485 0.96 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL21273450 0.96 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL21273573 0.96 HDAC2 (0.76) HDAC2HDAC8HDAC6HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3530654-B1 QUINOLINYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF BEIJING KONRUNS PHARMACEUTICAL CO LTD (CN) 2022-12-14 — — EP 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 HDAC2 1448/4885HDAC8 1673/4885HDAC6 560/4885
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 HDAC2 1471/4885HDAC8 1710/4885HDAC6 581/4885

“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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