SCHEMBL15077318

SCHEMBL15077318

CC(=O)c1n[nH]c2cc(Br)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.61
▸ IDO1 P14902 1/20 0.57
▸ PDPK1 O15530 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ GSK3B P49841 1/20 0.52
▸ AXL P30530 1/20 0.44
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ METAP2 P50579 1/20 0.40

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
SCHEMBL30301502 1.00 DYRK1A (0.61) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL9436096 0.87 PDPK1 (0.59) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL261067 0.85 IDO1 (0.62) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL30075258 0.85 IDO1 (0.62) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL19208914 0.83 JAK2 (0.59) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL11970499 0.83 JAK1 (0.54) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL21811353 0.83 IDO1 (0.64) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL30258217 0.83 KDM4E (0.63) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL29871192 0.83 IDO1 (0.64) DYRK1AIDO1PDPK1JAK2GSK3B
SCHEMBL498163 0.83 KDM4E (0.63) DYRK1AIDO1PDPK1JAK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104098513-B A kind of indazole compound derivative and preparation method thereof 天津市斯芬克司药物研发有限公司 2016-08-24 — — CN claimed
WO-2023025109-A1 TOLL-LIKE RECEPTOR INHIBITOR AND PREPARATION AND APPLICATION THEREOF 上海维申医药有限公司 2023-03-02 — — WO disclosed
CN-104098513-B A kind of indazole compound derivative and preparation method thereof 天津市斯芬克司药物研发有限公司 2016-08-24 — — CN disclosed
CN-104324026-B A kind of pharmaceutical composition antianxity and application thereof 温州医科大学 2016-08-24 — — CN disclosed
CN-104324026-A Anti-anxiety pharmaceutical composition and application thereof BAI LINGQIANG 2015-02-04 — — CN disclosed
CN-104324026-A Anti-anxiety pharmaceutical composition and application thereof BAI LINGQIANG 2015-02-04 — — CN disclosed
CN-104098513-A Indazole compound derivative and preparation method SPHINX SCIENT LAB CORP 2014-10-15 — — CN disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 — — US 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 (1 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 DYRK1A 752/4885IDO1 160/4885PDPK1 783/4885

“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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