SCHEMBL6458459

SCHEMBL6458459

CN(C)c1ccnc(N[C@H]2CC[C@@H](CN)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK6 Q16659 1/20 0.42
DRD2 P14416 2/20 0.42
PIK3C3 Q8NEB9 4/20 0.42
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
MERTK Q12866 2/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
GAS6 Q14393 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MCHR1 Q99705 4/20 0.39
CTSK P43235 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL6463534 0.99 MAPK6 (0.41) MAPK6DRD2PIK3C3DRD3HRH4
SCHEMBL6463619 0.85 PAK4 (0.50) MAPK6PIK3C3HRH4FLT3MCHR1
SCHEMBL6457779 0.85 PAK4 (0.50) MAPK6PIK3C3HRH4FLT3MCHR1
Hydrochloric Acid SCHEMBL6464145 0.83 PAK4 (0.49) MAPK6PIK3C3HRH4FLT3MCHR1
SCHEMBL6461912 0.82 JAK3 (0.41) HRH4MERTKMCHR1CTSKMAPK8
SCHEMBL6867831 0.80 MCHR1 (0.53) DRD2MCHR1MAPK14
SCHEMBL6867826 0.80 MCHR1 (0.53) DRD2MCHR1MAPK14
SCHEMBL6464494 0.80 CTSK (0.41) HRH4MCHR1CTSK
SCHEMBL6455641 0.79 MCHR1 (0.48) MCHR1MAPK8MAPK9MAPK10MAPK14
SCHEMBL6875559 0.78 MCHR1 (0.42) DRD2PIK3C3DRD3MERTKPIK3CD

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 MAPK6 3495/4885DRD2 41/4885PIK3C3 3918/4885

“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.