SCHEMBL4066263

SCHEMBL4066263

Sc1ccccc1C1=NCCN1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.62
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4298620 0.89 NISCH (0.58) NISCH
SCHEMBL9579892 0.86 NISCH (0.81) NISCH
SCHEMBL3394014 0.78 NISCH (0.65) NISCH
SCHEMBL16863098 0.78 NISCH (0.76) NISCH
SCHEMBL1626317 0.77 NISCH (1.00) NISCH
SCHEMBL2949149 0.77 NISCH (0.62) NISCH
SCHEMBL80782 0.77 NISCH (0.62) NISCH
SCHEMBL4818139 0.77 NISCH (0.62) NISCH
SCHEMBL1882130 0.77 NISCH (0.62) NISCH
SCHEMBL8887144 0.76 NISCH (0.66) NISCHCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817635-B1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER LAMBERT CO (US) 2004-06-16 EP claimed
CN-103906518-B Malignant and non-malignant disease treatment using RAS antagonists 派西斯治疗有限责任公司 2020-03-13 CN disclosed
US-9738614-B2 Malignant and non-malignant disease treatment with Ras antagonists PISCES THERAPEUTICS, LLC (US) 2017-08-22 US disclosed
EP-2763681-B1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS LLC (US) 2017-08-16 EP disclosed
US-20160207891-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS, LLC (US) 2016-07-21 US disclosed
US-9309203-B2 Malignant and non-malignant disease treatment with Ras antagonists PISCES THERAPEUTICS, LLC (US) 2016-04-12 US disclosed
US-20140249163-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PICES THERAPEUTICS LLC (US) 2014-09-04 US disclosed
EP-2763681-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS Pisces Therapeutics LLC (US) 2014-08-13 EP disclosed
CN-103906518-A Malignant and non-malignant disease treatment using RAS antagonists PISCES THERAPEUTICS LLC 2014-07-02 CN disclosed
WO-2013052765-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS PISCES THERAPEUTICS LLC (US) 2013-04-11 WO disclosed
US-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
EP-0749434-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1996-12-27 EP disclosed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996029077-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY (US) 1996-09-26 WO disclosed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
WO-1995024408-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1995-09-14 WO disclosed
EP-0430334-B1 Immunostimulating 6-aryl-5,6-dihydroimidazo[2,1-b]thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-09-13 EP disclosed
US-5140024-A Thienofuro- or thienodiazepines and pyridofuro- or thienodizsepines; antisecretory and -inflammatory agents; gastrointestinal disorders DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-08-18 US disclosed
US-4985423-A New 1,4-diazepine derivatives having anit-ulcer activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
EP-0350131-A2 New 1,4-diazepine derivatives having anti-ulcer activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-01-10 EP 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 (2 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-20140249163-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS HRAS, KRAS, NRAS NISCH 2496/4885ALDH1A1 3724/4885CYP1A2 4777/4885
US-20160207891-A1 MALIGNANT AND NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS HRAS, KRAS, NRAS NISCH 2496/4885ALDH1A1 3724/4885CYP1A2 4777/4885

“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.