SCHEMBL29480855

SCHEMBL29480855

Cc1cccc(N)c1N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.50
▸ PARP1 P09874 2/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL16895681 1.00 USP30 (0.50) USP30PARP1EPHX1BRD4BTK
SCHEMBL16895680 1.00 USP30 (0.50) USP30PARP1EPHX1BRD4BTK
SCHEMBL16895918 0.88 USP30 (0.49) USP30PARP1EPHX1BRD4BTK
SCHEMBL16791247 0.88 USP30 (0.49) USP30PARP1EPHX1BRD4BTK
SCHEMBL22605914 0.87 ALDH1A1 (0.55) PARP1EPHX1BTKIDH1ALDH1A1
SCHEMBL26679982 0.86 USP30 (0.49) USP30PARP1EPHX1BRD4BTK
SCHEMBL16901718 0.85 MEN1 (0.46) USP30PARP1EPHX1BTKFPR3
SCHEMBL25431747 0.84 POLB (0.46) EPHX1ALDH1A1POLB
SCHEMBL25431751 0.84 POLB (0.46) EPHX1ALDH1A1POLB
SCHEMBL16895884 0.84 USP30 (0.47) USP30PARP1EPHX1BRD4PIM1

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 6 patents. 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
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — US disclosed
EP-4225288-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-08-16 — — EP disclosed
EP-4225309-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-08-16 — — EP disclosed
WO-2022081478-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
WO-2022076589-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-14 — — 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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 USP30 809/4885PARP1 1002/4885EPHX1 1592/4885
US-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 USP30 809/4885PARP1 1002/4885EPHX1 1592/4885

“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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