SCHEMBL934072

SCHEMBL934072

Nc1cnc(-c2ccccc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.62
ALOX5AP P20292 9/20 0.62
ASIC3 Q9UHC3 3/20 0.50
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
TLR9 Q9NR96 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.45
AURKA O14965 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PRKACA P17612 1/20 0.45

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
SCHEMBL29817861 1.00 FEN1 (0.62) FEN1ALOX5APASIC3GSK3AGSK3B
SCHEMBL1304066 0.85 RAB9A (0.52) TLR9
SCHEMBL31518972 0.83 FEN1 (0.49) FEN1ALOX5AP
SCHEMBL903602 0.80 RAB9A (0.50)
SCHEMBL27736012 0.80 MAPK1 (0.44) FEN1ALOX5APTLR9HSP90AA1
SCHEMBL557611 0.79 HSP90AA1 (0.56) FEN1ALOX5APHSP90AA1
SCHEMBL30414619 0.79 HSP90AA1 (0.56) FEN1ALOX5APHSP90AA1
SCHEMBL27928313 0.79 ALOX5AP (0.54) FEN1ALOX5AP
SCHEMBL6700757 0.78 PIK3CG (0.47) FEN1ALOX5AP
SCHEMBL4474224 0.78 FEN1 (0.51) FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923185-B2 Pyrazine containing charge transport layer photoconductors XEROX CORPORATION (US) 2011-04-12 US claimed
US-20090274968-A1 PYRAZINE CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-11-05 US claimed
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US claimed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP claimed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 WO claimed
US-12616753-B2 HSP70 inhibitors and methods of using same THE WISTAR INSTITUTE (US) 2026-05-05 US disclosed
US-12145949-B2 Cyclic supported catalysts Universite Paris-Saclay (FR) 2024-11-19 US disclosed
US-20240368206-A1 CYCLIC SUPPORTED CATALYSTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-11-07 US disclosed
CN-118047654-A Process for preparing aryl halides starting from aromatic amines 黑龙江立科新材料有限公司 2024-05-17 CN disclosed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-RE30563-E Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4133956-A Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 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 (5 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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same HSPA2, HSPBP1, HSP90AB1 FEN1 3467/4885ALOX5AP 2649/4885ASIC3 4306/4885
US-20240368206-A1 CYCLIC SUPPORTED CATALYSTS CYCS, CALU, CALD1 FEN1 1830/4885ALOX5AP 3513/4885ASIC3 2229/4885
US-12616753-B2 HSP70 inhibitors and methods of using same HSPB1, HSP90AB1, HSF1 FEN1 1996/4885ALOX5AP 4338/4885ASIC3 4070/4885
US-12145949-B2 Cyclic supported catalysts CYCS, CALU, CALD1 FEN1 1830/4885ALOX5AP 3513/4885ASIC3 2229/4885
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 FEN1 4761/4885ALOX5AP 889/4885ASIC3 2759/4885

“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.