SCHEMBL6584974

SCHEMBL6584974

COc1cc[c]cc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NQO2 P16083 1/20 0.30

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
SCHEMBL3209325 0.83 APP (0.40) APPCA12CA1CA2CA4
SCHEMBL15389999 0.79 ALDH1A1 (0.39)
SCHEMBL27675673 0.79 ALDH1A1 (0.33)
SCHEMBL6200727 0.78 TSPO (0.41) CA12CA1CA2CA7CA9
SCHEMBL27463249 0.77
SCHEMBL27588573 0.77 HTR7 (0.44) APPCA12CA1CA2CA4
SCHEMBL27650969 0.76 ALDH1A1 (0.34)
SCHEMBL8674 0.75 CA2 (0.46) CA12CA1CA2CA4CA7
SCHEMBL2776293 0.75 KDM4E (0.32)
SCHEMBL6315253 0.75 ALDH1A1 (0.37) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851602-B 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof 郑州大学 2023-04-11 CN claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 CN claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-9994566-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryl or heteroaryl, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-06-12 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
EP-3287456-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-02-28 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
US-6166038-A Aminopyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0945439-A1 NOVEL AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 APP 3032/4885CA12 4086/4885CA1 3786/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 APP 4554/4885CA12 4841/4885CA1 4877/4885

“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.