SCHEMBL26679982

SCHEMBL26679982

CNc1cccc(C)c1N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.49
▸ PARP1 P09874 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL29480855 0.86 USP30 (0.50) USP30PARP1BRD4EPHX1BTK
SCHEMBL16895680 0.86 USP30 (0.50) USP30PARP1BRD4EPHX1BTK
SCHEMBL16895681 0.86 USP30 (0.50) USP30PARP1BRD4EPHX1BTK
SCHEMBL21598915 0.84 USP30 (0.56) USP30PARP1BRD4BTKPIM1
SCHEMBL29480854 0.83 USP30 (0.47) USP30PARP1BRD4EPHX1PIM1
SCHEMBL16895884 0.83 USP30 (0.47) USP30PARP1BRD4EPHX1PIM1
SCHEMBL16895885 0.83 USP30 (0.47) USP30PARP1BRD4EPHX1PIM1
SCHEMBL16791247 0.77 USP30 (0.49) USP30PARP1BRD4EPHX1BTK
SCHEMBL16895918 0.77 USP30 (0.49) USP30PARP1BRD4EPHX1BTK
SCHEMBL31227020 0.77 BTK (0.47) USP30PARP1BRD4BTKPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-10-26 — — 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 (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-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 USP30 809/4885PARP1 1002/4885BRD4 1321/4885

“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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