SCHEMBL4987425

SCHEMBL4987425

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
KDM1A O60341 3/20 0.35
OXTR P30559 2/20 0.35
SLC6A9 P48067 1/20 0.35
KCNH2 Q12809 1/20 0.35
FASN P49327 6/20 0.35
AVPR1A P37288 1/20 0.34
PIK3CA P42336 2/20 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
USP30 Q70CQ3 1/20 0.34
GABRA5 P31644 1/20 0.34
PRKAA2 P54646 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL5781022 0.90 HPGD (0.38) HPGDPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL5785686 0.89 HPGD (0.38) HPGDOXTRKCNH2AVPR1APIK3CA
SCHEMBL5783378 0.88 LRRK2 (0.37) HPGDPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4982158 0.87 HPGD (0.39) HPGDOXTRAVPR1APIK3CAPIK3CD
SCHEMBL4984335 0.86 NNMT (0.44) HPGDKCNH2PIK3CAPIK3CDPIK3R2
SCHEMBL4982219 0.86 HPGD (0.36) HPGDPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4990225 0.86 HPGD (0.36) HPGDPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4987578 0.85 ALDH1A1 (0.39) HPGDPIK3CAPIK3CDPIK3R2PIK3CB
SCHEMBL4988214 0.83 HPGD (0.41) HPGDKCNH2PIK3CAPIK3CDPIK3R2
SCHEMBL4988506 0.83 OXTR (0.40) HPGDKDM1AOXTRAVPR1AALDH1A1

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 6 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
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R HPGD 80/4885KDM1A 1692/4885OXTR 2187/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HPGD 19/4885KDM1A 2198/4885OXTR 2837/4885

“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.