SCHEMBL22957908

SCHEMBL22957908

CC(C)NCc1c(OCC2CC2)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ ACACB O00763 4/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DUT P33316 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34

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
SCHEMBL22957909 0.85 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL22957667 0.84 RIPK1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL22957829 0.80 AXL (0.42) HTR2C
SCHEMBL21534767 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL24018822 0.77 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL28892913 0.77 HTR2C (0.39) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL28892191 0.77 HTR2C (0.42) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL22957828 0.76 SCN9A (0.39) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL22479884 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL26505542 0.73 SLC6A4 (0.39) PDE4APDE4BPDE4CPDE4D

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 PDE4A 1098/4885PDE4B 1420/4885PDE4C 1676/4885

“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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