SCHEMBL21050799

SCHEMBL21050799

Cc1c(Br)c(Cl)cc2c(=O)cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ TPX2 Q9ULW0 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CSNK2A1 P68400 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL21050763 0.85 CCR8 (0.47) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL29974781 0.80 CCR8 (0.46) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL21050814 0.80 CCR8 (0.46) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL11696777 0.80 CCR8 (0.58) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL22492390 0.72 CCR8 (0.48) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL24787431 0.70 CSNK2A1 (0.42) CCR8AURKATPX2MAPTCSNK2A1
SCHEMBL31549623 0.70 CFB (0.40) CCR8AURKATPX2CSNK2A1
SCHEMBL7291123 0.70 CCR8 (0.50) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL11699295 0.70 CCR8 (0.60) CCR8KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL24791176 0.70 GRIN2D (0.38) ALDH1A1HSD17B10KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 — — US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 — — WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 — — US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 — — WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 — — 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 CCR8 2420/4885KMT2A 1959/4885ALDH1A1 26/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CCR8 2420/4885KMT2A 1959/4885ALDH1A1 26/4885

“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.

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