SCHEMBL5534834

SCHEMBL5534834

NC(=O)c1cccnc1Oc1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
ROCK2 O75116 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK8 P45983 2/20 0.43
ALDH1A1 P00352 2/20 0.43
P2RY1 P47900 3/20 0.43
P2RY14 Q15391 2/20 0.43
TYK2 P29597 1/20 0.43
P2RY2 P41231 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL29477666 0.85 RAB9A (0.55) RAB9AROCK2ALDH1A1TYK2
SCHEMBL20916924 0.85 RAB9A (0.55) RAB9AROCK2ALDH1A1TYK2
SCHEMBL5529298 0.82 RAB9A (0.68) RAB9AROCK2TDP1MAPK8ALDH1A1
SCHEMBL5523941 0.82 MAPK8 (0.57) RAB9AROCK2TDP1MAPK8
SCHEMBL30693359 0.82 MAPK8 (0.57) RAB9AROCK2TDP1MAPK8
SCHEMBL1326862 0.80 RAB9A (0.57) RAB9AROCK2TDP1ALDH1A1
SCHEMBL5518570 0.79 RAB9A (0.56) RAB9AROCK2TDP1ALDH1A1P2RY1
SCHEMBL14892703 0.79 KCNK3 (0.44) MAPK8MAPK10
SCHEMBL1307403 0.79 CYP1A2 (0.42) ALDH1A1P2RY1P2RY14P2RY2
SCHEMBL351860 0.77 CTNNB1 (0.55) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 RAB9A 902/4885ROCK2 1013/4885TDP1 1807/4885

“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.