SCHEMBL2940359

SCHEMBL2940359

Cc1cc(C2CC2)ccc1-n1cnc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
TSHR P16473 1/20 0.32
HTR2C P28335 4/20 0.31
HCRTR1 O43613 1/20 0.31
PDE2A O00408 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
SCHEMBL27941586 0.93 XPO1 (0.34) XPO1TLR9TLR8TLR7GABRG2
SCHEMBL2921514 0.85 HTR2C (0.32) XPO1TLR9TLR8TLR7GABRG2
SCHEMBL2923083 0.85 KLKB1 (0.34) XPO1HTR2CHCRTR1
SCHEMBL3107895 0.84 GABRG2 (0.34) XPO1GABRG2GABRB3GABRA5HTR2C
SCHEMBL2916380 0.84 XPO1 (0.34) XPO1TLR9TLR8TLR7GABRG2
SCHEMBL2916881 0.84 TLR9 (0.35) XPO1TLR9TLR8TLR7
SCHEMBL1233768 0.80 HCAR1 (0.40)
SCHEMBL29558810 0.80 HCAR1 (0.40)
SCHEMBL27952843 0.79 CYP17A1 (0.31) XPO1HCRTR1
SCHEMBL2916645 0.79 HCRTR1 (0.33) HCRTR1

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 XPO1 1365/4885TLR9 4844/4885TLR8 4713/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 XPO1 2240/4885TLR9 4249/4885TLR8 4262/4885

“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.