SCHEMBL6469725

SCHEMBL6469725

Cc1c(C2CCCCC2)nc(N)nc1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PSMB5 P28074 2/20 0.35
NUDT1 P36639 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
PIK3CA P42336 1/20 0.32
ADK P55263 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GHSR Q92847 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL6470544 0.86 HRH2 (0.49) HRH2HRH3PSMB5NUDT1HRH4
SCHEMBL6473618 0.79 HRH2 (0.51) HRH2HRH3NUDT1HRH4PDE10A
SCHEMBL6469727 0.77 PSMB5 (0.38) HRH2HRH3PSMB5NUDT1HRH4
SCHEMBL6470547 0.75 ADK (0.37) HRH2HRH3PSMB5NUDT1HRH4
SCHEMBL31475661 0.72 HRH2 (0.43) HRH2HRH3NUDT1PDE10APTGS1
SCHEMBL27457600 0.69 PDE10A (0.52) HRH2HRH3PDE10A
SCHEMBL27941496 0.67 HRH3 (0.50) HRH2HRH3HRH4CCNA2CDK2
SCHEMBL28104020 0.66 HRH3 (0.53) HRH2HRH3PSMB5NUDT1HRH4
SCHEMBL12268234 0.65 HRH2 (0.36) HRH2HRH3
SCHEMBL2745568 0.65 HRH3 (0.47) HRH2HRH3HRH4CCNA2CDK2

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HRH2 43/4885HRH3 25/4885PSMB5 3593/4885

“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.