SCHEMBL7409270

SCHEMBL7409270

[c]1nc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
JAK2 O60674 2/20 0.42
NPC1 O15118 2/20 0.42
FGFR1 P11362 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.38
ALK Q9UM73 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL27947333 0.85 FGFR1 (0.43) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL20412071 0.84 PDE3B (0.46) CLK1CLK2CDK5DYRK1ACLK4
SCHEMBL699438 0.84 MAP4K4 (0.36) GSK3BCDK5CDK5R1NPC1KDM4E
SCHEMBL27847161 0.79 PDPK1 (0.44) XDH
SCHEMBL27633032 0.76 KCNH2 (0.42) GSK3BCDK5CDK5R1BACE1
SCHEMBL699522 0.76 SCN5A (0.42) GSK3BJAK2
SCHEMBL16500166 0.75 HDAC1 (0.33) NPC1GAAALKKDM4E
SCHEMBL3103036 0.75 NQO2 (0.43) NPC1L3MBTL1KDM4EMEN1MAPT
SCHEMBL3676082 0.74 NPC1 (0.38) NPC1GAAKDM4EMEN1MAPT
SCHEMBL2862 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110120467-A Perovskite light emitting diode and preparation method thereof based on pre- spin coating FABr 南京邮电大学 2019-08-13 CN disclosed
CN-104093715-B 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives 埃科特莱茵药品有限公司 2017-04-26 CN disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US disclosed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP disclosed
CN-104093715-A 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD 2014-10-08 CN disclosed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO disclosed
US-8350039-B2 Substituted isoquinoline derivatives, pharmaceutical compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-08 US disclosed
CN-1266138-C Gyrase inhibitors and uses thereof VERTEX PHARMA INC (US) 2006-07-26 CN disclosed
CN-1481368-A Gyrase imhibitors and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-03-10 CN disclosed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO 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-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 DYRK3 1263/4885CLK1 4705/4885CLK2 3949/4885

“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.