SCHEMBL146522

SCHEMBL146522

Cc1ncc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.52
HTR7 P34969 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
AOC3 Q16853 2/20 0.43
GSTO1 P78417 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5521864 0.96 KDR (0.49) KDRHTR7LOXL2ERCC5FEN1
SCHEMBL6893581 0.89 KDR (0.50) KDRERCC5FEN1GSTO1
SCHEMBL3459364 0.84 HSD17B1 (0.54) KDRLOXL2AOC3
SCHEMBL27620515 0.83 KDR (0.40) KDRHTR7LOXL2ERCC5FEN1
SCHEMBL14435919 0.83 AOC3 (0.47) KDRAOC3
SCHEMBL15791180 0.82 CYP2A6 (0.52) KDR
SCHEMBL2407377 0.81 NPC1 (0.44) LOXL2SLC6A3
SCHEMBL12947929 0.81 MAP4K4 (0.50) LOXL2AOC3
SCHEMBL1764602 0.81 RAB9A (0.47)
SCHEMBL21228532 0.81 HSD17B1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063461-A Red light/near infrared photochromic molecule, preparation method and application thereof 华东理工大学 2024-05-24 CN disclosed
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230121151-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
EP-4122929-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2023-01-25 EP disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
US-11434212-B2 Bicyclic compound as a caspase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-09-06 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
US-4418070-A 5-PHENYL-THIAZOLES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1983-11-29 US disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 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 (6 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 KDR 1168/4885HTR7 257/4885LOXL2 827/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 KDR 577/4885HTR7 3202/4885LOXL2 383/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KDR 3886/4885HTR7 3656/4885LOXL2 3768/4885
US-11434212-B2 Bicyclic compound as a caspase inhibitor CASP1, CASP14, CASP2 KDR 3996/4885HTR7 2249/4885LOXL2 2806/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KDR 2694/4885HTR7 238/4885LOXL2 485/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 KDR 4682/4885HTR7 4354/4885LOXL2 1694/4885

“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.