SCHEMBL5533338

SCHEMBL5533338

NC1(C(=O)Nc2ncc3cc(F)c(F)cc3n2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
HDAC3 O15379 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
ATAD2 Q6PL18 1/20 0.34
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
CLK2 P49760 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CA P42336 1/20 0.31
ABL1 P00519 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDK9 P50750 1/20 0.31
RPS6KB1 P23443 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL6472501 0.74 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6ATAD2
SCHEMBL6472289 0.68 L3MBTL1 (0.44) KDM4EALDH1A1
SCHEMBL5527149 0.65 MAP3K5 (0.41) KDM4EALDH1A1
SCHEMBL31075519 0.64 HDAC1 (0.51) HDAC1KDM4EALDH1A1
SCHEMBL28848243 0.62 HDAC1 (0.52) HDAC1KDM4EALDH1A1
SCHEMBL20353577 0.61 PRMT3 (0.58)
SCHEMBL28668151 0.60 FAAH (0.52) HDAC1CDK9HDAC4
SCHEMBL4826893 0.60 MAPK10 (0.46) ATAD2
SCHEMBL14253879 0.60 ABL1 (0.53) KDRATAD2ABL1FFAR2
SCHEMBL20353585 0.60 PRMT3 (0.56)

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 TEK 1779/4885KDR 2569/4885EPHB4 1512/4885

“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.