SCHEMBL2916645

SCHEMBL2916645

Cc1ccc(-n2cnc(C(F)(F)F)n2)c(C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NOTUM Q6P988 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP17A1 P05093 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL27952863 0.93 HCRTR1 (0.32) HCRTR1CYP17A1KMT2A
SCHEMBL2921514 0.85 HTR2C (0.32) HCRTR1CYP17A1
SCHEMBL2921640 0.84 BRD4 (0.32)
SCHEMBL2919443 0.84 RAD52 (0.34) KMT2A
SCHEMBL2917418 0.81
SCHEMBL29558810 0.80 HCAR1 (0.40) KMT2A
SCHEMBL1233768 0.80 HCAR1 (0.40) KMT2A
SCHEMBL2912028 0.80 CYP17A1 (0.31) CYP17A1
SCHEMBL27952843 0.79 CYP17A1 (0.31) HCRTR1CYP17A1
SCHEMBL2922803 0.79 FFAR4 (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 HCRTR1 921/4885GABRA1 1237/4885GABRB2 2880/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 HCRTR1 3306/4885GABRA1 322/4885GABRB2 552/4885

“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.