Sugi Predict

Sugi Predict / Compounds / SCHEMBL1665585

SCHEMBL1665585

SCHEMBL1665585

COc1cc(N)cnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL13921771 0.79 ACHE (0.39) AURKAKDRAURKBGAAKDM4E
SCHEMBL4291682 0.78 GAA (0.36) AURKAKDRAURKBMAPTGAA
SCHEMBL1663334 0.76 NOS3 (0.37) MAPTKDM4EHPGDHTTSMN1; SMN2
SCHEMBL117167 0.75 ALDH1A1 (0.40) MAPTGAAKDM4ETSHRHTT
SCHEMBL2616551 0.74 FYN (0.44) MAPTGAAKDM4ETSHRHTT
SCHEMBL17574591 0.74 FDPS (0.46) MAPTGAAHPGDTSHRHTT
SCHEMBL18975037 0.74 NPC1 (0.43) GAAHPGDTSHRHSD17B10FYN
SCHEMBL18432109 0.74 KCNK3 (0.35) GAAKDM4EHPGDHTR2AHTR2C
SCHEMBL15166129 0.74 KCNK3 (0.35) GAAKDM4EHPGDHTR2AHTR2C
SCHEMBL15166130 0.74 KCNK3 (0.35) GAAKDM4EHPGDHTR2AHTR2C

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
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 — — EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 AURKA 3513/4885KDR 820/4885AURKB 3367/4885

“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.