SCHEMBL2165867

SCHEMBL2165867

Cc1n[nH]c(N)c1-c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 16/20 0.72
▸ KDM4E B2RXH2 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ PAX8 Q06710 1/20 0.57
▸ KLF5 Q13887 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL687425 0.91 ILK (0.73) ILKKDM4ENFKB1NFKB2RELA
SCHEMBL686542 0.84 ILK (1.00) ILK
SCHEMBL687221 0.81 ILK (0.53) ILK
SCHEMBL686413 0.81 ILK (0.74) ILKKDM4ENPC1RAB9ATDP1
SCHEMBL687684 0.81 ILK (0.70) ILKGFER
SCHEMBL686420 0.81 ILK (0.70) ILK
SCHEMBL687116 0.81 ILK (0.70) ILK
SCHEMBL686498 0.81 ILK (0.60) ILK
SCHEMBL687517 0.80 ILK (0.72) ILK
SCHEMBL687122 0.79 ILK (0.74) ILK

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 ILK 2153/4885KDM4E 1544/4885NFKB1 1360/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 ILK 1603/4885KDM4E 1780/4885NFKB1 365/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885KDM4E 3729/4885NFKB1 2010/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885KDM4E 3729/4885NFKB1 2010/4885

“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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