SCHEMBL10102668

SCHEMBL10102668

CCc1ccc2nc(-c3ccccc3)c(CCCN(C)C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.44
PDE10A Q9Y233 1/20 0.41
NUDT1 P36639 1/20 0.40
NPC1 O15118 1/20 0.39
UBE2N P61088 1/20 0.39
ADK P55263 1/20 0.38
TRIM58 Q8NG06 1/20 0.38
TLR8 Q9NR97 2/20 0.38
TERT O14746 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL10102670 0.86 PSMB5 (0.47) PSMB5PDE10ATLR8MAPT
SCHEMBL10102667 0.84 PSMB5 (0.43) PSMB5PDE10ATLR8MAPTSIGMAR1
SCHEMBL3387112 0.83 PSMB5 (0.46) PSMB5PDE10ANPC1MAPT
SCHEMBL10102675 0.81 PSMB5 (0.43) PSMB5PDE10A
SCHEMBL10107721 0.77 PSMB5 (0.39) PSMB5PDE10AMAPT
SCHEMBL27660917 0.76 TLR8 (0.63) PSMB5PDE10ATLR8MAPT
SCHEMBL27660900 0.74 TLR8 (0.64) PDE10ATLR8MAPT
SCHEMBL16198056 0.73 TLR8 (0.62) PDE10ATLR8MAPT
SCHEMBL27640114 0.73 TLR8 (0.62) PDE10ATLR8MAPT
SCHEMBL27640113 0.73 TLR8 (0.62) PDE10ATLR8MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B PSMB5 228/4885PDE10A 4376/4885NUDT1 2243/4885

“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.