SCHEMBL2573554

SCHEMBL2573554

CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)cn1CC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.43
BRD4 O60885 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
AR P10275 1/20 0.39
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
CDK1 P06493 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 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
SCHEMBL2567266 0.85 BRD4 (0.43) CNR2BRD4BAZ2APDE10ACNR1
SCHEMBL2567540 0.85 CNR2 (0.44) CNR2BRD4BAZ2APDE10ACNR1
SCHEMBL2572300 0.83 CNR2 (0.43) CNR2BRD4BAZ2ACNR1
SCHEMBL2573518 0.83 PIK3CD (0.43) CNR2BRD4BAZ2ACNR1
SCHEMBL2568600 0.82 CNR2 (0.49) CNR2CNR1
SCHEMBL2571603 0.81 CNR2 (0.43) CNR2BRD4BAZ2AARCNR1
SCHEMBL2572586 0.81 CNR2 (0.42) CNR2BRD4BAZ2APDE10ACNR1
SCHEMBL2569085 0.81 CNR2 (0.42) CNR2PDE10ACNR1
SCHEMBL3417900 0.81 PDE5A (0.45) CNR2BRD4BAZ2ACDC7DAPK3
SCHEMBL2567498 0.80 CNR2 (0.47) CNR2PDE10ACNR1

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 CNR2 2/4885BRD4 72/4885BAZ2A 811/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885BRD4 72/4885BAZ2A 811/4885

“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.