SCHEMBL5534109

SCHEMBL5534109

CN(C)c1nc(C2(C(N)=O)CCCCC2N)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
MCHR1 Q99705 13/20 0.39
ADRA2A P08913 13/20 0.39
NPY5R Q15761 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL5534118 0.75 KDM4E (0.40) ALDH1A1KDM4ECYP3A4CYP2D6MEN1
SCHEMBL5527145 0.73 ACHE (0.33)
SCHEMBL5534608 0.70 ADRA2A (0.44) ALDH1A1KDM4ECYP3A4CYP2D6MEN1
SCHEMBL6472239 0.70 RXFP1 (0.43) ALDH1A1MEN1HPGDKMT2ATDP1
SCHEMBL6472282 0.69 KMT2A (0.38) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL6472499 0.68 HSD11B1 (0.32)
SCHEMBL15194737 0.67 S1PR1 (0.38) HTR2BLMNA
SCHEMBL5533336 0.66 HCRTR1 (0.31)
SCHEMBL5524125 0.64 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL3938611 0.64 MCHR1 (0.64) MCHR1ADRA2ANPY5RHTR1AADRA1A

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 ALDH1A1 2069/4885KDM4E 1012/4885CYP3A4 334/4885

“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.