SCHEMBL23217165

SCHEMBL23217165

COc1ccc(CNc2nccc3c2c(-c2ccc(Oc4ccccc4)cc2)nn3C2CCC3(CC2)OCCO3)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.43
▸ ALDH1A1 P00352 8/20 0.39
▸ CYP1A2 P05177 14/20 0.39
▸ CYP3A4 P08684 14/20 0.39
▸ CYP2C19 P33261 14/20 0.39
▸ CYP2C9 P11712 11/20 0.39
▸ TSHR P16473 11/20 0.39
▸ LMNA P02545 7/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ CLK4 Q9HAZ1 6/20 0.39
▸ CYP2D6 P10635 13/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ USP2 O75604 5/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL29844225 1.00 EGFR (0.43) EGFRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL23217009 0.86 ALDH1A1 (0.42) EGFRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL29844240 0.86 ALDH1A1 (0.42) EGFRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL25230775 0.86 ALDH1A1 (0.42) EGFRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL25273546 0.82 EGFR (0.55) EGFRBTK
SCHEMBL21903643 0.81 BTK (0.46) EGFRMAPTBTK
SCHEMBL21903789 0.81 BTK (0.52) EGFRBTK
SCHEMBL21903785 0.81 BTK (0.52) EGFRBTK
SCHEMBL24096641 0.78 TP53 (0.41) EGFRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL29998774 0.78 TP53 (0.41) EGFRALDH1A1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 — — US disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK EGFR 576/4885ALDH1A1 4815/4885CYP1A2 3818/4885

“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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