SCHEMBL6457586

SCHEMBL6457586

COc1cccc(OC)c1CNC[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.42
MAPK9 P45984 4/20 0.42
MAPK10 P53779 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
MCHR1 Q99705 6/20 0.40
ADRA2A P08913 1/20 0.40
NPY5R Q15761 1/20 0.40
ACHE P22303 3/20 0.38
BACE1 P56817 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 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
SCHEMBL6877408 1.00 MAPK8 (0.42) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6868661 0.90 CNR1 (0.41) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6868672 0.90 CNR1 (0.41) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6464818 0.89 SMN1; SMN2 (0.46) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6878199 0.89 SMN1; SMN2 (0.46) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6875327 0.89 CCNT1 (0.43) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6875315 0.89 CCNT1 (0.43) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6879311 0.88 MAPK8 (0.43) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6879316 0.88 MAPK8 (0.43) MAPK8MAPK9MAPK10DRD2DRD3
SCHEMBL6873584 0.85 MCHR1 (0.42) MAPK8MAPK9MAPK10DRD2DRD3

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 3 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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
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 MAPK8 4019/4885MAPK9 3706/4885MAPK10 2275/4885

“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.