SCHEMBL687084

SCHEMBL687084

COc1ccc2nc(CC#N)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
PDK1 Q15118 1/20 0.54
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 1/20 0.49
APP P05067 4/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
GFER P55789 1/20 0.47
HTT P42858 1/20 0.47
DYRK1A Q13627 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CASP2 P42575 1/20 0.46

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
SCHEMBL11587907 0.88 NPC1 (0.47) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL11341140 0.86 KMT2A (0.59) CYP1A2CYP3A4CYP2C19MAPTNPC1
SCHEMBL11338493 0.83 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL11100119 0.82 NPC1 (0.58) CYP3A4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5351987 0.81 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL11335893 0.80 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3242801 0.80 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL202215 0.80 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL7542512 0.80 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL16150961 0.80 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19PDK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209582-B2 Composition, curable composition, cured film, near infrared cut filter, infrared transmitting filter, solid image pickup element, infrared sensor, and camera module FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
US-20170174869-A1 COMPOSITION, METHOD OF MANUFACTURING COMPOSITION, CURABLE COMPOSITION, CURED FILM, NEAR-INFRARED CUT FILTER, SOLID-STATE IMAGING DEVICE, INFRARED SENSOR, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
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-8883050-B2 Curable colored compositions, color filters and processes for preparing them, liquid crystal display devices, solid-state image sensors, and dye compounds FUJIFILM CORPORATION (JP) 2014-11-11 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
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4249010-A FOR POLYESTERS; COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
US-4201713-A COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4097484-A ORGANIC PIGMENTS, PLASTICS CIBA-GEIGY CORPORATION (US) 1978-06-27 US disclosed
US-4002635-A FOR COLORING PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1977-01-11 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 CYP1A2 4050/4885CYP3A4 3466/4885CYP2C19 3358/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 CYP1A2 892/4885CYP3A4 1466/4885CYP2C19 580/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH CYP1A2 96/4885CYP3A4 120/4885CYP2C19 111/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH CYP1A2 96/4885CYP3A4 120/4885CYP2C19 111/4885

“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.