SCHEMBL254046

SCHEMBL254046

CCCCCn1cc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.50
TLR7 Q9NYK1 1/20 0.50
SLC9A1 P19634 3/20 0.45
MPO P05164 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 5/20 0.41

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
SCHEMBL9229133 0.98 TLR8 (0.49) TLR8TLR7SLC9A1MPOMEN1
SCHEMBL29311541 0.98 TLR8 (0.49) TLR8TLR7SLC9A1MPOMEN1
SCHEMBL18073162 0.95 TLR8 (0.55) TLR8TLR7SLC9A1MPOMEN1
SCHEMBL10123647 0.87 SLC6A2 (0.44) TLR8TLR7SLC9A1MEN1CYP1A2
SCHEMBL9038635 0.81 SLC9A1 (0.44) TLR8TLR7SLC9A1MEN1KMT2A
SCHEMBL17981794 0.81 PDE4D (0.42) TLR8TLR7MPOMEN1KMT2A
SCHEMBL30177201 0.80 IRAK4 (0.43) TLR8TLR7MPOKMT2AALDH1A1
SCHEMBL28267672 0.80 KMT2A (0.41) TLR8TLR7MEN1CYP1A2CYP2C19
SCHEMBL5764690 0.80 SLC6A2 (0.43) TLR8TLR7SLC9A1MEN1CYP1A2
SCHEMBL8803926 0.79 TLR8 (0.40) TLR8TLR7KDR

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
CN-110183450-B Synthetic method of 2-arylindazolo maleimide fused polycyclic compound 河南师范大学 2020-05-12 CN claimed
CN-110183450-A A kind of synthetic method of 2- arylindazoles and maleimide fused-polycyclic compounds 河南师范大学 2019-08-30 CN claimed
CN-110183456-A A kind of synthetic method of 2- arylindazoles succinimide spiro-compound 河南师范大学 2019-08-30 CN claimed
WO-2016001682-A1 TREATMENT OF HYPERTRANSAMINASEMIA SUMMIT THERAPEUTICS PLC (GB) 2016-01-07 WO claimed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
CN-110183450-B Synthetic method of 2-arylindazolo maleimide fused polycyclic compound 河南师范大学 2020-05-12 CN disclosed
CN-110183450-A A kind of synthetic method of 2- arylindazoles and maleimide fused-polycyclic compounds 河南师范大学 2019-08-30 CN disclosed
CN-110183456-A A kind of synthetic method of 2- arylindazoles succinimide spiro-compound 河南师范大学 2019-08-30 CN disclosed
CN-110183456-A A kind of synthetic method of 2- arylindazoles succinimide spiro-compound 河南师范大学 2019-08-30 CN disclosed
CN-110183450-A A kind of synthetic method of 2- arylindazoles and maleimide fused-polycyclic compounds 河南师范大学 2019-08-30 CN disclosed
CN-110183450-A A kind of synthetic method of 2- arylindazoles and maleimide fused-polycyclic compounds 河南师范大学 2019-08-30 CN disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS ALCON MANUFACTURING, LTD. (US) 2008-02-07 US disclosed
WO-2008016993-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS ALCON RESEARCH, LTD. (US) 2008-02-07 WO disclosed
CN-1056834-C Novel arylindazoles and their use as herbicides ZENECA LTD (GB) 2000-09-27 CN disclosed
US-5928998-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1999-07-27 US disclosed
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 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-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR TLR8 4645/4885TLR7 2587/4885SLC9A1 3280/4885
US-20080033184-A1 INTERMEDIATES AND METHODS FOR SEROTONERGIC AGONIST SYNTHESIS HTR3B, HTR3A, HTR4 TLR8 1192/4885TLR7 1145/4885SLC9A1 3215/4885

“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.