SCHEMBL2165258

SCHEMBL2165258

Nc1cc(N)n(-c2nc3ccccc3s2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL19607879 0.85 MAPK1 (0.54) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL29808337 0.85 MAPK1 (0.54) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL2087933 0.76 MAPK1 (0.54) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL11698178 0.76 RAB9A (0.71) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL29808224 0.74 RAB9A (0.46) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL19586789 0.74 RAB9A (0.46) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL12780848 0.70 RAB9A (0.53) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL3644801 0.70 RAB9A (0.57) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL12779066 0.69 BACE1 (0.63) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL12779030 0.68 BACE1 (0.52) MAPK1MEN1KMT2ARAB9ANPC1

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
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
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

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 MAPK1 157/4885MEN1 4507/4885KMT2A 2806/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 MAPK1 1229/4885MEN1 4065/4885KMT2A 4078/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH MAPK1 3432/4885MEN1 4300/4885KMT2A 4397/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH MAPK1 3432/4885MEN1 4300/4885KMT2A 4397/4885

“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.