SCHEMBL6834170

SCHEMBL6834170

Nc1ccc(-c2cccc(-n3cnc4cc(C(F)(F)F)ccc43)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CD O00329 1/20 0.46
PIK3C2A O00443 1/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
RPTOR Q8N122 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FGFR1 P11362 4/20 0.45
NPBWR1 P48145 2/20 0.45

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
SCHEMBL2641981 0.86 FGFR1 (0.56) HPGDALDH1A1FGFR1GABRA1GABRG2
Hydrochloric Acid SCHEMBL2641992 0.85 FGFR1 (0.54) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL2641983 0.81 GABRA1 (0.55) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL2641906 0.79 HPGD (0.45) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL2642002 0.79 HPGD (0.46) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL19915930 0.78 FGFR1 (0.62) ALDH1A1FGFR1KDRSRC
SCHEMBL2646769 0.77 HTT (0.59) HPGDALDH1A1FGFR1KDR
Hydrochloric Acid SCHEMBL2642036 0.77 GABRA1 (0.46) HPGDALDH1A1FGFR1GABRA1GABRG2
Hydrochloric Acid SCHEMBL2642067 0.76 HTT (0.47) HPGDALDH1A1FGFR1KDRF9
SCHEMBL1761981 0.76 GABRA1 (0.55) HPGDALDH1A1FGFR1GABRA1GABRG2

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-20040077634-A1 Treatment of diseases characterized by excessive or insufficient cell death NEUROSEARCH A/S (DK) 2004-04-22 US claimed
EP-1361874-A1 TREATMENT OF DISEASES CHARACTERIZED BY EXCESSIVE OR INSUFFICIENT CELL DEATH NEUROSEARCH A/S (DK) 2003-11-19 EP claimed
WO-2002064128-A1 TREATMENT OF DISEASES CHARACTERIZED BY EXCESSIVE OR INSUFFICIENT CELL DEATH NEUROSEARCH A/S (DK) 2002-08-22 WO claimed
US-20040077634-A1 Treatment of diseases characterized by excessive or insufficient cell death NEUROSEARCH A/S (DK) 2004-04-22 US disclosed
EP-1361874-A1 TREATMENT OF DISEASES CHARACTERIZED BY EXCESSIVE OR INSUFFICIENT CELL DEATH NEUROSEARCH A/S (DK) 2003-11-19 EP disclosed
WO-2002064128-A1 TREATMENT OF DISEASES CHARACTERIZED BY EXCESSIVE OR INSUFFICIENT CELL DEATH NEUROSEARCH A/S (DK) 2002-08-22 WO 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-20040077634-A1 Treatment of diseases characterized by excessive or insufficient cell death APAF1, CASP9, AIFM1 MTOR 746/4885PIK3CA 3297/4885PIK3CD 2972/4885

“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.