SCHEMBL434860

SCHEMBL434860

Cc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
ALDH1A1 P00352 5/20 0.43
HRH4 Q9H3N8 2/20 0.41
HTR3A P46098 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL435765 0.84 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL16155308 0.84 ALDH1A1 (0.50) CYP1A2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4572536 0.83 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL789944 0.76 PDGFRB (0.39) HRH4HTR3AHPGDFGFR3KDR
SCHEMBL22520176 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL16288953 0.76 PDGFRB (0.39) ALDH1A1HRH4HTR3AHPGDFGFR3
SCHEMBL15043760 0.76 ADORA3 (0.39) ALDH1A1HRH4HTR3AHPGDFGFR3
SCHEMBL21632275 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL12686649 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL5537413 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
US-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-11 US disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
WO-2018057805-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-9655363-B2 Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2017-05-23 US disclosed
US-9655363-B2 Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2017-05-23 US disclosed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US disclosed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
EP-1292335-B1 COMBINATIONS AND COMPOSITIONS WHICH INTERFERE WITH VEGF/VEGF AND ANGIOPOIETIN/TIE RECEPTOR FUNCTION AND THEIR USE (II) BAYER SCHERING PHARMA AG (DE) 2007-05-30 EP disclosed
US-7211581-B2 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI-AVENTIS (FR) 2007-05-01 US disclosed
US-7211581-B2 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI-AVENTIS (FR) 2007-05-01 US disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2004078759-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-16 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 (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-20240228472-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME CYC1, CRY1, C1S CYP1A2 45/4885CCR1 28/4885CCR5 412/4885
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN2, PSEN1, GSK3A CYP1A2 779/4885CCR1 3589/4885CCR5 2353/4885

“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.