SCHEMBL2574018

SCHEMBL2574018

COCCN(C)C(=O)c1cccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.47
ATR Q13535 1/20 0.42
CNR1 P21554 8/20 0.40
KCNH2 Q12809 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK14 Q16539 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
CNR2 P34972 4/20 0.38
NPC1 O15118 1/20 0.38
FYN P06241 1/20 0.38
CECR2 Q9BXF3 1/20 0.37
HDAC4 P56524 1/20 0.37
WDR5 P61964 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
SCHEMBL2573505 0.91 PARP1 (0.40) MTORATRCNR1RAB9ACNR2
SCHEMBL2570302 0.89 MTOR (0.44) MTORCNR1KCNH2SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL2573524 0.88 MTOR (0.43) MTORCNR1KCNH2SLC16A3SLC16A1
SCHEMBL2569696 0.88 MTOR (0.43) MTORCNR1SLC16A3SLC16A1CNR2
SCHEMBL2573394 0.86 CNR2 (0.40) MTORCNR1KCNH2SLC16A3SLC16A1
SCHEMBL2568616 0.86 CNR1 (0.40) MTORCNR1KCNH2RAB9ACNR2
SCHEMBL2571582 0.84 MTOR (0.43) MTORCNR1CNR2FYNCECR2
SCHEMBL2570356 0.84 KDM1A (0.39) CNR1CNR2FYNCECR2
Hydrochloric Acid SCHEMBL2574144 0.84 MTOR (0.42) MTORCNR1KCNH2CNR2FYN
SCHEMBL2572048 0.83 NR5A2 (0.42) CNR1RAB9ASLC16A3SLC16A1CNR2

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-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 MTOR 1051/4885ATR 2476/4885CNR1 1/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 MTOR 1051/4885ATR 2476/4885CNR1 1/4885

“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.