SCHEMBL6465613

SCHEMBL6465613

CN(C)c1cc(N[C@H]2CC[C@@H](N)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPKAPK2 P49137 2/20 0.42
CDC7 O00311 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CDK2 P24941 2/20 0.40
DAPK3 O43293 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40

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
Hydrochloric Acid SCHEMBL6930413 0.99 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2MAPKAPK2
Hydrochloric Acid SCHEMBL6459228 0.99 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2MAPKAPK2
SCHEMBL6455735 0.87 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2CLK4
SCHEMBL6464399 0.86 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2CLK4
SCHEMBL6464657 0.86 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2CLK4
SCHEMBL5780729 0.85 MCHR1 (0.62) MCHR1KDM4ELMNASMN1; SMN2CDC7
SCHEMBL6874577 0.84 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL6874583 0.84 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL6459226 0.83 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL6459221 0.83 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2TSHR

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 MCHR1 2/4885KDM4E 1190/4885LMNA 3391/4885

“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.