SCHEMBL20160410

SCHEMBL20160410

CC(S)N1CC2CC(C1)N2C(=O)C1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
RET P07949 1/20 0.33
CCR2 P41597 9/20 0.32
GRM5 P41594 1/20 0.32
RIPK1 Q13546 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NAMPT P43490 2/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL20154481 0.88 PIK3CD (0.40) PIK3CDRETCCR2GRM5RIPK1
SCHEMBL21158721 0.82 PIK3CD (0.36) PIK3CDRETGRM5RIPK1HRH3
SCHEMBL20070420 0.79 PIK3CD (0.49) PIK3CDRETCCR2HRH3
SCHEMBL23126226 0.78 RET (0.37) PIK3CDRETGRM5RIPK1NAMPT
SCHEMBL23555271 0.78 RET (0.35) PIK3CDRETGRM5RIPK1NAMPT
SCHEMBL20070417 0.76 SMN1; SMN2 (0.35) PIK3CDRETGRM5RIPK1
SCHEMBL20154483 0.74 PIK3CD (0.45) PIK3CDRETCCR2HRH3
SCHEMBL20160371 0.73 RET (0.36) RETCCR2
SCHEMBL22031247 0.72 PIK3CD (0.44) PIK3CDRETCCR2GRM5RIPK1
SCHEMBL20071302 0.72 HRH3 (0.40) PIK3CDCCR2HRH3

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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF PIK3CD 1191/4885RET 1/4885CCR2 1878/4885

“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.