SCHEMBL2177396

SCHEMBL2177396

c1nnc(NCC2CC2)c2c1OCCO2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.34
PIM1 P11309 6/20 0.34
HIF1A Q16665 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
PIM2 Q9P1W9 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PIM3 Q86V86 2/20 0.31
PTGER4 P35408 1/20 0.31
LRRK2 Q5S007 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL2177240 0.72 PIM2 (0.31) PIM1HIF1APIM2
SCHEMBL31256683 0.71 CHRM4 (0.42) CHRM4PIM1HRH4TRPM8PDE10A
SCHEMBL2176989 0.64 LARS1 (0.32)
SCHEMBL2178113 0.64 PIM1 (0.53) PIM1PIM2PIM3
SCHEMBL2177397 0.61
SCHEMBL15273472 0.61 LRRK2 (0.44) CHRM4HIF1ATRPM8PTGER4LRRK2
SCHEMBL15273471 0.61 LRRK2 (0.44) CHRM4HIF1ATRPM8PTGER4LRRK2
SCHEMBL31256687 0.58 PTGER4 (0.36) CHRM4HRH4PDE10APTGER4
SCHEMBL24469154 0.58 TRIM58 (0.42) HIF1ATRPM8PDE10ATLR7CLK4
SCHEMBL2177953 0.57 ALDH1A1 (0.43) CHRM4PIM2PIM3

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-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
EP-2519526-B1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
EP-2519526-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-07 EP disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO 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-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors PIM1, PIM2, PIM3 CHRM4 3993/4885PIM1 1/4885HIF1A 1264/4885

“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.