SCHEMBL2919693

SCHEMBL2919693

CC(C)c1ccc(-n2nc(C(F)(F)F)nc2N(C)C)c(C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.33
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
CRHR1 P34998 2/20 0.32
RPS6KB1 P23443 1/20 0.31
CYP17A1 P05093 2/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL27941606 0.94 TLR9 (0.33) TLR9TLR8TLR7CYP17A1
Benzenethiol SCHEMBL27941600 0.92 CRHR1 (0.32) TLR9TLR8TLR7CRHR1
SCHEMBL2918074 0.85 RECQL (0.33) CYP17A1
SCHEMBL2913014 0.85 TLR9 (0.34) TLR9TLR8TLR7CYP17A1
SCHEMBL2924345 0.84 TLR9 (0.32) TLR9TLR8TLR7CRHR1CYP17A1
SCHEMBL2919179 0.82 TP53 (0.34) CRHR1TP53MAPTTHRB
SCHEMBL2918393 0.82 TRPV1 (0.33) TP53MAPTTHRB
SCHEMBL2915655 0.82 TP53 (0.30) TP53MAPTTHRB
SCHEMBL2918584 0.82 CYP17A1 (0.31) CYP17A1
SCHEMBL2919478 0.82 TLR9 (0.31) TLR9TLR8TLR7CRHR1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664811-B (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof IHARA CHEMICAL IND CO. (JP) 2015-09-16 CN disclosed
CN-103664811-A Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL IND CO 2014-03-26 CN disclosed
US-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-8440838-B2 Aryl (1H-1,2,4-triazol-1-yl) compound and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-14 US disclosed
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-01-24 US disclosed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 US disclosed
EP-2226317-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-08 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 (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-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF CYP1A1, CYP2S1, NAT1 TLR9 4844/4885TLR8 4713/4885TLR7 4349/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 TLR9 4249/4885TLR8 4262/4885TLR7 2105/4885

“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.