SCHEMBL2916848

SCHEMBL2916848

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
F11 P03951 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
MALT1 Q9UDY8 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
UBE2N P61088 1/20 0.30
NOTUM Q6P988 2/20 0.30
KCNH2 Q12809 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
SCHEMBL2923517 0.85 F11 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2921842 0.85 F11 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2912950 0.85 RXRA (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27852668 0.82 PTGS2 (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2913915 0.82 POLB (0.38) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL2913892 0.82 F11 (0.32) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL27952829 0.81 ALDH1A1 (0.33) F11SMN1; SMN2LMNA
SCHEMBL2919443 0.80 RAD52 (0.34) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL2921125 0.78 CHRM1 (0.32) MALT1NOTUMALPI
SCHEMBL2911617 0.77 NPC1 (0.31) NPC1RAB9ASMN1; SMN2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4A 3536/4885PDE4B 3374/4885PDE4C 3120/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 PDE4A 3535/4885PDE4B 1901/4885PDE4C 3721/4885

“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.