SCHEMBL2919443

SCHEMBL2919443

CCc1ccc(-n2cnc(C(F)(F)F)n2)c(C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.34
KLKB1 P03952 2/20 0.32
F11 P03951 2/20 0.32
USP1 O94782 1/20 0.31
HTR6 P50406 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CNR2 P34972 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL27941582 0.93 RAD52 (0.33) RAD52KLKB1F11USP1PTGDR2
SCHEMBL2916645 0.84 HCRTR1 (0.33) KMT2A
SCHEMBL2921514 0.82 HTR2C (0.32)
SCHEMBL2943200 0.82 CNR2 (0.32) RAD52CNR2
SCHEMBL2923517 0.81 F11 (0.33) KLKB1F11MEN1NPC1GAA
SCHEMBL2912950 0.81 RXRA (0.35) F11MEN1NPC1GAARAB9A
SCHEMBL2921842 0.81 F11 (0.33) KLKB1F11MEN1NPC1GAA
SCHEMBL2946662 0.81 CNR2 (0.32) RAD52CNR2
SCHEMBL2921640 0.81 BRD4 (0.32)
SCHEMBL2916848 0.80 PDE4A (0.32) F11MEN1NPC1GAARAB9A

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 RAD52 4546/4885KLKB1 4586/4885F11 383/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 RAD52 4356/4885KLKB1 3663/4885F11 170/4885

“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.