SCHEMBL5529987

SCHEMBL5529987

COc1cccc(Oc2ncccc2C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
ROCK2 O75116 3/20 0.52
MAPK10 P53779 2/20 0.50
MAPK8 P45983 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 1/20 0.50
DRD1 P21728 1/20 0.50
AURKA O14965 1/20 0.49
MET P08581 1/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
AURKB Q96GD4 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL7374241 0.87 TDP1 (0.59) RAB9ATDP1ALDH1A1HTTMAPK8
Hydrochloric Acid SCHEMBL6831889 0.85 RAB9A (0.59) RAB9ATDP1ALDH1A1ROCK2MAPK8
SCHEMBL7311036 0.84 TDP1 (0.60) RAB9ATDP1ALDH1A1HTTROCK2
SCHEMBL7364681 0.83 RAB9A (0.72) RAB9ATDP1ALDH1A1ROCK2MAPK10
SCHEMBL5518685 0.83 RAB9A (0.60) RAB9ATDP1ALDH1A1ROCK2KDM4E
SCHEMBL5755198 0.83 RAB9A (0.56) RAB9ATDP1ALDH1A1HTTROCK2
SCHEMBL5518570 0.83 RAB9A (0.56) RAB9ATDP1ALDH1A1ROCK2KDM4E
SCHEMBL7312518 0.82 RAB9A (0.59) RAB9ATDP1ALDH1A1KDM4EDRD1
SCHEMBL742272 0.82 RAB9A (0.75) RAB9ATDP1ALDH1A1HTTROCK2
SCHEMBL5526358 0.81 RAB9A (0.58) RAB9ATDP1ALDH1A1HTTROCK2

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 902/4885TDP1 1807/4885ALDH1A1 2069/4885

“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.