SCHEMBL5534608

SCHEMBL5534608

CN(C)c1nc(NC2(C(N)=O)CCCCC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.44
NPY5R Q15761 3/20 0.44
MCHR1 Q99705 15/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5524125 0.71 MCHR1 (0.62) ADRA2ANPY5RMCHR1HTR1AADRA1A
SCHEMBL5534109 0.70 ALDH1A1 (0.40) ADRA2ANPY5RMCHR1KDM4EALDH1A1
SCHEMBL6602152 0.70 ADRA2A (0.43) ADRA2ANPY5RMCHR1MEN1KMT2A
SCHEMBL4034589 0.70 MCHR1 (0.56) ADRA2ANPY5RMCHR1HTR1AADRA1A
SCHEMBL3938613 0.70 MCHR1 (0.64) ADRA2ANPY5RMCHR1HTR1AADRA1A
SCHEMBL4207614 0.70 MCHR1 (0.70) ADRA2ANPY5RMCHR1HTR1AADRA1A
SCHEMBL3938611 0.70 MCHR1 (0.64) ADRA2ANPY5RMCHR1HTR1AADRA1A
SCHEMBL5534118 0.70 KDM4E (0.40) ADRA2ANPY5RMCHR1KDM4EALDH1A1
SCHEMBL3947713 0.70 ADRA2A (0.69) ADRA2ANPY5RMCHR1
SCHEMBL5524380 0.69 MCHR1 (0.59) ADRA2ANPY5RMCHR1KDM4EALDH1A1

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 ADRA2A 103/4885NPY5R 17/4885MCHR1 1/4885

“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.