SCHEMBL686439

SCHEMBL686439

c1ccc2sc(-c3cc[nH]n3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.54
▸ NPC1 O15118 8/20 0.54
▸ RAB9A P51151 8/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ILK Q13418 5/20 0.53
▸ PKM P14618 1/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ GLA P06280 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ APP P05067 1/20 0.49
▸ MMP9 P14780 1/20 0.49

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
SCHEMBL827403 0.78 RAB9A (0.67) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.76 RAB9A (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.76 RAB9A (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.76 RAB9A (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3073946 0.75 RAB9A (0.69) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8893711 0.74 NPC1 (0.53) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27645661 0.74 ILK (0.55) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14939305 0.73 RAB9A (0.67) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29474819 0.72 RAB9A (0.81) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL231307 0.72 KDM4E (0.75) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069955-A 3- pyridyl group -4- benzothiazolyls pyrazole derivatives, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-05-25 — — CN disclosed
US-9725467-B2 Fluorinated benzenesulfonamides as inhibitors of carbonic anhydrase VILNIUS UNIVERSITY (LT) 2017-08-08 — — US disclosed
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 — — US disclosed
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 — — US disclosed
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 — — US disclosed
US-20150266900-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE VILNIUS UNIVERSITY (LT) 2015-09-24 — — US disclosed
EP-2914583-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE Vilnius University (LT) 2015-09-09 — — EP disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 — — US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 — — US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 — — US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 — — US disclosed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 — — EP disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 — — US disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 — — US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 — — US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 — — US disclosed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 — — US disclosed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 — — US disclosed
EP-1542997-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, Inc. (CA) 2005-06-22 — — EP disclosed
WO-2004011460-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, INC. (CA) 2004-02-05 — — 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 (4 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-20150266900-A1 FLUORINATED BENZENESULFONAMIDES AS INHIBITORS OF CARBONIC ANHYDRASE CA9, CA7, CA2 KDM4E 1556/4885NPC1 1145/4885RAB9A 2035/4885
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors TST, PTK2, PTK2B KDM4E 1544/4885NPC1 4326/4885RAB9A 4041/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 KDM4E 1780/4885NPC1 3923/4885RAB9A 2638/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH KDM4E 3729/4885NPC1 404/4885RAB9A 3096/4885

“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.

Send feedback