SCHEMBL4021876

SCHEMBL4021876

N=C(N)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 1.00
F2 P00734 1/20 0.71
F10 P00742 1/20 0.71
F12 P00748 1/20 0.71
F7 P08709 1/20 0.71
F3 P13726 1/20 0.71
PKM P14618 1/20 0.71
NQO2 P16083 7/20 0.70
BLM P54132 1/20 0.68
PRSS1 P07477 2/20 0.65
PRSS2 P07478 2/20 0.65
PRSS3 P35030 2/20 0.65
C1S P09871 1/20 0.65
RECQL P46063 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 1/20 0.56
TOP1 P11387 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56

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
Hydrochloric Acid SCHEMBL6029673 0.98 WDR5 (0.95) WDR5F2F10F12F7
Biphenyl SCHEMBL28438673 0.92 WDR5 (0.86) WDR5F2F10F12F7
SCHEMBL26081559 0.91 WDR5 (0.83) WDR5F2F10F12F7
Biphenyl SCHEMBL2456187 0.90 BLM (0.85) WDR5F2F10F12F7
SCHEMBL394218 0.89 WDR5 (0.80) WDR5F2F10F12F7
SCHEMBL8973288 0.89 WDR5 (0.80) WDR5F2F10F12F7
Benzamidine SCHEMBL23067876 0.84 F2 (1.00) WDR5F2F10F12F7
SCHEMBL18557033 0.84 F2 (1.00) WDR5F2F10F12F7
Benzamidine SCHEMBL27781057 0.84 F2 (1.00) WDR5F2F10F12F7
Benzamidine SCHEMBL9207 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117926289-A Method for electrochemically synthesizing N-sulfoamidine derivatives under mild condition 湘潭大学 2024-04-26 CN claimed
CN-121717766-A Preparation method of ultraviolet absorber UV-1600 intermediate 安徽英特美科技有限公司 2026-03-24 CN disclosed
US-20240150506-A1 CURING AGENTS FOR FLUOROELASTOMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-05-09 US disclosed
CN-117926289-A Method for electrochemically synthesizing N-sulfoamidine derivatives under mild condition 湘潭大学 2024-04-26 CN disclosed
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 CN disclosed
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 EP disclosed
WO-2022192006-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS DUPONT POLYMERS, INC. (US) 2022-09-15 WO disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
CN-110670090-B Method for synthesizing isoquinolone compound based on electrochemistry 广西师范大学 2021-06-29 CN disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 US disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 US disclosed
EP-1213283-B1 Biphenyl-substituted triazines as light stabilisers CIBA HOLDING INC (CH) 2009-04-29 EP disclosed
EP-1556360-B1 ELECTROLUMINESCENT DEVICE CIBA SC HOLDING AG (CH) 2008-01-23 EP disclosed
EP-1332151-A1 PYRANOSIDE DERIVATIVES Boehringer Ingelheim Pharma KG (DE) 2003-08-06 EP disclosed
US-6489359-B2 BENZAMIDINE DERIVATIVES CONTAINING A SULFATE GROUP; USE AS LEUKOTRIENE B4 (LTB4) ANTAGONISTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-03 US disclosed
US-20020161043-A1 Sulphoxybenzamides BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-31 US disclosed
WO-2002034761-A1 PYRANOSIDE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-02 WO 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 (3 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-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL WDR5 1405/4885F2 1652/4885F10 3128/4885
US-20020161043-A1 Sulphoxybenzamides SULT2A1, SULT1A1, SDHB WDR5 3796/4885F2 1471/4885F10 3154/4885
US-20100240892-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL WDR5 1405/4885F2 1652/4885F10 3128/4885

“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.