SCHEMBL4990225

SCHEMBL4990225

COc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)nc2-c2ccc(CN)cn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
MLLT1 Q03111 1/20 0.35
GABRA5 P31644 1/20 0.35
REN P00797 1/20 0.35
GPR183 P32249 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
PIK3CA P42336 6/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SMO Q99835 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL4982219 0.92 HPGD (0.36) HPGDMLLT1GABRA5RENGPR183
SCHEMBL5781022 0.89 HPGD (0.38) HPGDGABRA5RENGPR183PIK3CA
SCHEMBL5785686 0.88 HPGD (0.38) HPGDGABRA5RENPIK3CAPIK3CD
SCHEMBL4984335 0.87 NNMT (0.44) HPGDGABRA5RENGPR183PIK3CA
SCHEMBL5783378 0.87 LRRK2 (0.37) HPGDGABRA5RENPIK3CAPIK3CD
SCHEMBL4982158 0.86 HPGD (0.39) HPGDGABRA5RENGPR183PIK3CA
SCHEMBL4987425 0.86 HPGD (0.36) HPGDGABRA5PIK3CAPIK3CDPIK3R2
SCHEMBL4987578 0.84 ALDH1A1 (0.39) HPGDGABRA5RENPIK3CAPIK3CD
SCHEMBL4988214 0.82 HPGD (0.41) HPGDGABRA5GPR183PIK3CAPIK3CD
SCHEMBL5782323 0.77 HRH3 (0.41) GABRA5RENPIK3CAPIK3CDPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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 (1 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R HPGD 80/4885MLLT1 2474/4885GABRA5 773/4885

“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.