SCHEMBL2642826

SCHEMBL2642826

[O]c1cnccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
KIF11 P52732 2/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RBP4 P02753 1/20 0.35
CYP17A1 P05093 1/20 0.35
MAPT P10636 2/20 0.35
ERN1 O75460 1/20 0.34
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP11B2 P19099 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
SCHEMBL8766213 0.82 SLC22A12 (0.37) NPC1POLBGAASLC22A12KIF11
SCHEMBL20772453 0.78 KIF11 (0.41) NPC1POLBGAASLC22A12KIF11
SCHEMBL8765463 0.77 CDC25B (0.33) NPC1POLBGAA
SCHEMBL2145747 0.74 LOXL2 (0.43) NPC1POLBGAAKIF11ALDH1A1
SCHEMBL1311354 0.73 KIF11 (0.41) NPC1POLBGAASLC22A12KIF11
SCHEMBL971004 0.73 AOC1 (0.43) NPC1POLBGAAKIF11KDM4C
SCHEMBL359606 0.73 NPC1 (0.37) NPC1POLBGAASLC22A12KIF11
SCHEMBL1973448 0.73 P2RX1 (0.41) NPC1POLBGAASLC22A12KIF11
SCHEMBL1311356 0.73 ALDH1A1 (0.45) NPC1POLBGAASLC22A12KIF11
SCHEMBL2008574 0.73 GAA (0.46) NPC1POLBGAASLC22A12KIF11

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-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK NPC1 3557/4885POLB 3158/4885GAA 609/4885

“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.