SCHEMBL21078708

SCHEMBL21078708

Cc1cc(CO)c2nc(C)cn2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.35
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
IKBKB O14920 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15176115 0.83 RXFP1 (0.42)
SCHEMBL19736686 0.81 SHBG (0.32)
SCHEMBL23571593 0.79 KDM4E (0.36) GRM5PIK3R1PIK3CAHSD17B10
SCHEMBL12920733 0.75 GRM5 (0.39) GRM5PIK3R1PIK3CAHSD17B10
SCHEMBL2315975 0.74 NPC1 (0.38) GRM5HSD17B10
SCHEMBL15176393 0.74 FFAR1 (0.36)
SCHEMBL23571405 0.72 GRM5 (0.37) GRM5PIK3R1PIK3CA
SCHEMBL24163731 0.72 GRM5 (0.42) GRM5PIK3R1PIK3CA
SCHEMBL6355229 0.72 GRM5 (0.37) GRM5PIK3R1PIK3CAHSD17B10
SCHEMBL25151362 0.71 ALDH1A1 (0.42) IKBKBHSD17B10

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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 US disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB GRM5 1078/4885PIK3R1 8/4885PIK3CA 1/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB GRM5 1078/4885PIK3R1 8/4885PIK3CA 1/4885

“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.