SCHEMBL21786960

SCHEMBL21786960

Nc1cnc(Cl)cc1Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 10/20 0.51
BCOR Q6W2J9 10/20 0.51
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39

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
SCHEMBL20773220 0.75 BCL6 (0.51) BCL6BCORAURKAAURKBMAPT
SCHEMBL30832785 0.75 BCL6 (0.51) BCL6BCORAURKAAURKBMAPT
SCHEMBL24270834 0.72 GAA (0.50) BCL6MAPTGAAALDH1A1HPGD
SCHEMBL29492714 0.72 GAA (0.50) BCL6MAPTGAAALDH1A1HPGD
SCHEMBL29492772 0.70 MAPT (0.52) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL24270569 0.70 MAPT (0.52) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL23535544 0.68 ROCK1 (0.49) BCL6BCORMAPTGAAALDH1A1
SCHEMBL20772501 0.68 BCL6 (0.71) BCL6BCORMAPTGAAALDH1A1
SCHEMBL12941910 0.68 TYRO3 (0.50) AURKAAURKBMAPTALDH1A1HPGD
SCHEMBL24270517 0.68 MTOR (0.40) MAPTGAAHPGDKDM4EMEN1

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-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO 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-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E BCL6 1416/4885BCOR 3223/4885AURKA 2171/4885

“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.