SCHEMBL21050882

SCHEMBL21050882

O=c1cc[nH]c2c(F)c(Br)c(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL21050814 0.85 CCR8 (0.46) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL29974781 0.85 CCR8 (0.46) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL1886773 0.84 CCR8 (0.52) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL30950714 0.74 GPR84 (0.45) TNFRIPK1
SCHEMBL16647184 0.72 MEN1 (0.36) KMT2AALDH1A1
SCHEMBL9529665 0.71 CCR8 (0.39) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15579270 0.70 ALDH1A1 (0.49) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL19370124 0.69 CCR8 (0.52) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL21050763 0.69 CCR8 (0.47) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL18305761 0.68 TNF (0.34) CCR8KMT2ATNFRIPK1

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
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 — — US 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
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

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 1959/4885HSD17B10 599/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CCR8 2420/4885KMT2A 1959/4885HSD17B10 599/4885

“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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