SCHEMBL5531782

SCHEMBL5531782

Cc1c(F)c(C(N)=O)cc(C2CCCC2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
BTK Q06187 3/20 0.35
CAMKK2 Q96RR4 1/20 0.34
SCN9A Q15858 3/20 0.34
PARP1 P09874 2/20 0.34
SLC9A1 P19634 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
IKBKB O14920 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FASN P49327 2/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32

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
SCHEMBL5527850 0.89 KDM4E (0.42) KDM4EMEN1MAPTKMT2ABTK
SCHEMBL5146830 0.80 ALDH1A1 (0.40) KDM4EKMT2ABTKPARP1SLC9A1
SCHEMBL6921914 0.80 KDM4E (0.43) KDM4EMEN1MAPTKMT2ABTK
SCHEMBL7585953 0.71 SOS1 (0.37) KDM4EPARP10
SCHEMBL5140672 0.71 PARP2 (0.40) KDM4EMEN1KMT2ABTKPARP1
SCHEMBL1125460 0.69 SOS1 (0.37) KDM4EMEN1KMT2APARP10
SCHEMBL5140428 0.68 THRB (0.39) PARP1KCNH2
SCHEMBL27903406 0.68 PTGDR2 (0.55) KDM4EMEN1MAPTKMT2ACAMKK2
SCHEMBL22867968 0.68 HSD17B2 (0.54) KDM4EMEN1MAPTKMT2ABTK
SCHEMBL22867965 0.67 ROCK2 (0.43) KDM4EMEN1MAPTKMT2ACAMKK2

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 KDM4E 1012/4885MEN1 647/4885MAPT 680/4885

“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.