SCHEMBL687199

SCHEMBL687199

COc1ccc2nc(C(C#N)=C(SC)SC)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
GALK1 P51570 1/20 0.52
PDK1 Q15118 1/20 0.51
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL692276 0.82 MAPT (0.50) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL686569 0.79 RECQL (0.77) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL686796 0.78 THRB (0.42) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL21386061 0.77 MAPT (0.60) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL6127587 0.75 PDK1 (0.49) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL3634489 0.74 HSD17B1 (0.63) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL16480369 0.73 MAPT (0.47) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL7158014 0.72 MAPT (0.64) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL3086399 0.72 MAPT (0.61) MAPTSMN1; SMN2HTTMEN1TSHR
SCHEMBL906609 0.72 CYP1A2 (0.59) MAPTSMN1; SMN2HTTMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 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-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 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-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
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-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 MAPT 4331/4885SMN1; SMN2 4199/4885HTT 2081/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 MAPT 4282/4885SMN1; SMN2 4082/4885HTT 2434/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH MAPT 865/4885SMN1; SMN2 4700/4885HTT 3618/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH MAPT 865/4885SMN1; SMN2 4700/4885HTT 3618/4885

“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.