SCHEMBL6470489

SCHEMBL6470489

Cc1c(N)nc2cccc(C3CCCCC3)c2c1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
BCHE P06276 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
DCPS Q96C86 1/20 0.37
PDK2 Q15119 2/20 0.35
PDK4 Q16654 2/20 0.35
KCNH2 Q12809 1/20 0.35
PSMB5 P28074 1/20 0.35
FEN1 P39748 1/20 0.34

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
SCHEMBL6471553 0.84 PSMB5 (0.40) ACHEBCHEGRIN1GRIN2APSMB5
Ammonia Solution, Strong SCHEMBL1154808 0.77 DCPS (0.49) DCPSKCNH2
SCHEMBL6470490 0.74 ACHE (0.51) ACHEBCHEGRIN1GRIN2A
SCHEMBL5391180 0.73 ACHE (0.54) ACHEBCHEGRIN1GRIN2ADCPS
SCHEMBL626837 0.70 CAMKK2 (0.41) FEN1
SCHEMBL31240954 0.70 HTR2C (0.52) PSMB5
SCHEMBL10627728 0.70 TDO2 (0.44) FEN1
SCHEMBL28773240 0.70 TDO2 (0.44) FEN1
SCHEMBL9627823 0.70 HTR2C (0.44)
SCHEMBL5824150 0.69 ALDH1A1 (0.49) ACHEBCHEKCNH2

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 ACHE 197/4885BCHE 119/4885GRIN1 257/4885

“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.