SCHEMBL1719655

SCHEMBL1719655

O=C(O)c1c(-c2cccnc2)nc(-c2cccc(OC(F)(F)F)c2)n1C1CC1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
CYP11B2 P19099 9/20 0.45
CYP11B1 P15538 7/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE4C Q08493 1/20 0.43
NPY5R Q15761 1/20 0.42
KIT P10721 2/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL1719659 0.98 DYRK1A (0.45) DYRK1ACYP11B2CYP11B1HTR2BHTR6
SCHEMBL1719247 0.91 CYP11B2 (0.46) CYP11B2CYP11B1HTR2BHTR6NPY5R
SCHEMBL1719657 0.90 DYRK1A (0.44) DYRK1ACYP11B2CYP11B1HTR2BHTR6
SCHEMBL1719856 0.90 CYP11B2 (0.47) CYP11B2CYP11B1HTR2BHTR6NPY5R
SCHEMBL1719251 0.89 CYP11B2 (0.46) CYP11B2CYP11B1HTR2BHTR6NPY5R
SCHEMBL1720876 0.86 PDE4A (0.41) DYRK1ACSNK2A2CSNK2BPDE4APDE4B
SCHEMBL1720881 0.84 PDE4A (0.46) DYRK1ACSNK2A2CSNK2BPDE4APDE4B
SCHEMBL1720507 0.84 CYP2C9 (0.47) DYRK1ACYP11B2CYP11B1HTR2BHTR6
SCHEMBL1719842 0.84 DHODH (0.43) DYRK1ACSNK2A2CSNK2BPDE4APDE4B
SCHEMBL1719864 0.82 PDE4A (0.44) CSNK2A2CSNK2BPDE4APDE4BPDE4D

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
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 DYRK1A 2267/4885CYP11B2 578/4885CYP11B1 898/4885

“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.