SCHEMBL20086258

SCHEMBL20086258

CC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 13/20 0.49
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KIF11 P52732 1/20 0.36
CACNG8 Q8WXS5 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
PGR P06401 2/20 0.35

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
SCHEMBL20085757 0.85 PIK3CD (0.42) GRIA1PDE3BPDE3ACACNG8
SCHEMBL20085510 0.85 PDE3B (0.41) GRIA1PDE3BPDE3APGR
SCHEMBL20085518 0.85 GRIA1 (0.39) GRIA1PDE3BPDE3APGR
SCHEMBL20120114 0.73 HTR2A (0.31)
SCHEMBL20120025 0.73
SCHEMBL20085484 0.72 PIK3CD (0.45) GRIA1PDE3BPDE3ACACNG8
SCHEMBL20085659 0.71 MET (0.43) GRIA1PDE3BPDE3ACACNG8
SCHEMBL20120026 0.70 PTGS2 (0.33)
SCHEMBL20085886 0.70 GRIA1 (0.39) GRIA1CACNG8
SCHEMBL20085786 0.70 MET (0.41) GRIA1PDE3BPDE3ACACNG8

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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111925-A1 3-ARYL-2H-PYRAZOLO[4,3-b]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN3B, GRIN2B GRIA1 41/4885PDE3B 716/4885PDE3A 601/4885

“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.