SCHEMBL10102667

SCHEMBL10102667

CCc1ccc2nc(-c3ccccc3)c(CCCNC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
S1PR3 Q99500 2/20 0.37
TLR8 Q9NR97 3/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
PTGFR P43088 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 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
SCHEMBL10102670 0.85 PSMB5 (0.47) PSMB5MEN1KMT2APDE10ATLR8
SCHEMBL10102668 0.84 PSMB5 (0.44) PSMB5PDE10ATLR8MAPTSIGMAR1
SCHEMBL3387112 0.82 PSMB5 (0.46) PSMB5MEN1KMT2AGPBAR1PDE10A
SCHEMBL10102678 0.82 AKT1 (0.37) PSMB5MEN1KMT2AGPBAR1PDE10A
SCHEMBL10107721 0.76 PSMB5 (0.39) PSMB5MEN1KMT2AGPBAR1PDE10A
SCHEMBL27660917 0.72 TLR8 (0.63) PSMB5MEN1KMT2APDE10ATLR8
SCHEMBL27660900 0.71 TLR8 (0.64) MEN1KMT2APDE10ATLR8MAPT
SCHEMBL16198056 0.70 TLR8 (0.62) MEN1KMT2APDE10ATLR8MAPT
SCHEMBL27640115 0.70 TLR8 (0.62) MEN1KMT2APDE10ATLR8MAPT
SCHEMBL28062696 0.70 TLR8 (0.62) MEN1KMT2APDE10ATLR8MAPT

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 228/4885MEN1 807/4885KMT2A 1558/4885

“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.