SCHEMBL22957686

SCHEMBL22957686

CC(C)(C)NCc1c(F)cccc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ AXL P30530 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ PDE4D Q08499 3/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ RIPK1 Q13546 3/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ SLC6A2 P23975 3/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL22957777 0.85 AXL (0.43) NPY1RNPY2RAXLFLT3MERTK
SCHEMBL22957809 0.83 RIPK1 (0.42) NPY1RNPY2RAXLMERTKRIPK1
SCHEMBL24018768 0.82 MCHR1 (0.40) NPY1RNPY2RAXLFLT3MERTK
SCHEMBL22389471 0.82 PDE4D (0.39) NPY1RNPY2RAXLFLT3MERTK
SCHEMBL22957807 0.80 NPY1R (0.65) NPY1RNPY2RRIPK1SLC6A2HTR1A
SCHEMBL22957648 0.80 AXL (0.42) AXLMERTKRIPK1KDM1AMAOA
SCHEMBL22957904 0.80 RIPK1 (0.47) AXLMERTKRIPK1KDM1AMAOA
SCHEMBL24180099 0.79 PDE4D (0.41) AXLFLT3MERTKPDE4DPDE4B
SCHEMBL22957846 0.78 NPY1R (0.70) NPY1RNPY2RPDE4DPDE4BPDE4A
SCHEMBL16793239 0.77 CSNK2A1 (0.44) AXLFLT3MERTKPDE4DPDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 NPY1R 2919/4885NPY2R 3582/4885AXL 995/4885

“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.

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