SCHEMBL22858643

SCHEMBL22858643

CCc1c(N)nc2cccnn12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.44
PDE4B Q07343 15/20 0.39
PDE4D Q08499 15/20 0.39
PDE4C Q08493 14/20 0.39
MYC P01106 1/20 0.35
DYRK1A Q13627 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL14754859 0.82 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CMYC
SCHEMBL21211239 0.81 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CMYC
SCHEMBL25054415 0.77 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CMYC
SCHEMBL25054383 0.77 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CMYC
SCHEMBL15308512 0.77 PDE4A (0.41) PDE4APDE4BPDE4DPDE4CDYRK1A
SCHEMBL17121438 0.73 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CDYRK1A
SCHEMBL15306525 0.72 PDE4A (0.35) PDE4APDE4BPDE4DPDE4CDYRK1A
SCHEMBL21863419 0.69 PDE4A (0.41) PDE4APDE4BPDE4DPDE4CDYRK1A
SCHEMBL13080314 0.69 PDE4A (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL13080991 0.69 PDE4A (0.41) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 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 (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-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PDE4A 368/4885PDE4B 338/4885PDE4D 449/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE4A 368/4885PDE4B 338/4885PDE4D 449/4885

“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.