SCHEMBL6464500

SCHEMBL6464500

CNc1c2ccccc2nc(N)c1[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
NUDT1 P36639 1/20 0.40
KDM1A O60341 3/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL9106781 0.79 BCHE (0.50) BCHEACHEHSD17B10ALDH1A1CYP1A2
SCHEMBL21013298 0.74 KDM1A (0.51) ACHEHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL9105665 0.73 ACHE (0.62) BCHEACHEKDM1AMAPK1
SCHEMBL9749136 0.70 CYP1A2 (0.51) ACHEALDH1A1CYP1A2
SCHEMBL5824154 0.70 ALDH1A1 (0.49) BCHEACHEHSD17B10ALDH1A1CYP1A2
SCHEMBL21743201 0.70 HSD17B10 (0.55) BCHEACHEHSD17B10ALDH1A1CYP1A2
SCHEMBL5410460 0.68 KDM1A (0.66) ACHEHSD17B10ALDH1A1HPGDNUDT1
SCHEMBL8781805 0.68 ACHE (0.45) ACHEALDH1A1CYP1A2KDM1A
SCHEMBL22853896 0.67 KDM1A (0.44) ACHEHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL5824150 0.67 ALDH1A1 (0.49) BCHEACHEHSD17B10ALDH1A1CYP1A2

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 2 patents. 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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 BCHE 119/4885ACHE 197/4885HSD17B10 2130/4885

“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.