SCHEMBL19808802

SCHEMBL19808802

COC(=O)c1ccc(Oc2ccc(C#N)cc2C(C)Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ NR3C1 P04150 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SCN9A Q15858 2/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ACACB O00763 1/20 0.35

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
SCHEMBL19808916 0.87 MAPK1 (0.42) MAPK1LMNAKDM4EL3MBTL1P2RX3
SCHEMBL19808863 0.84 P2RX3 (0.45) HRH3MAPK1LMNAKDM4EL3MBTL1
SCHEMBL19808889 0.84 LMNA (0.42) HRH3MAPK1LMNAKDM4EL3MBTL1
SCHEMBL19808903 0.84 LMNA (0.45) MAPK1LMNAKDM4EL3MBTL1P2RX3
SCHEMBL19808834 0.82 MRGPRX4 (0.55) HRH3MRGPRX4NR3C1MAPK1LMNA
SCHEMBL19808857 0.82 LMNA (0.46) HRH3MAPK1LMNAKDM4EL3MBTL1
SCHEMBL19808831 0.81 LMNA (0.56) MRGPRX4MAPK1LMNASCN9AKDM4E
SCHEMBL19808820 0.77 MAPK1 (0.39) HRH3MAPK1LMNAKDM4EL3MBTL1
SCHEMBL19808874 0.72 MAPT (0.47) HRH3MRGPRX4L3MBTL1P2RX3ACACB
SCHEMBL19808815 0.70 HRH3 (0.47) HRH3MAPK1LMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275881-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2021-08-04 — — EP disclosed
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-10-16 — — US disclosed
US-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 — — US disclosed
EP-3275881-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-01-31 — — 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-20180118739-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROARYLOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 HRH3 41/4885MRGPRX4 1853/4885NR3C1 193/4885
US-10100051-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryloxy or heteroaryloxy, preparation method thereof and pharmaceutical use thereof HIF1AN, EGLN3, EGLN2 HRH3 41/4885MRGPRX4 1853/4885NR3C1 193/4885

“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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