SCHEMBL26132563

SCHEMBL26132563

Nc1nc2cccc(Cl)c2n1[C@@H]1CCCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HSD11B1 P28845 6/20 0.43
▸ PRMT5 O14744 1/20 0.40
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.35
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL26606547 1.00 EGFR (0.43) EGFRCYP2D6HSD11B1PRMT5CYP3A4
SCHEMBL25406382 0.88 EGFR (0.47) EGFRCYP2D6HSD11B1CYP3A4CYP2C9
SCHEMBL25406377 0.88 EGFR (0.47) EGFRCYP2D6HSD11B1CYP3A4CYP2C9
SCHEMBL16767773 0.85 HSD11B1 (0.46) EGFRCYP2D6HSD11B1PRMT5HPGD
SCHEMBL16767775 0.85 HSD11B1 (0.46) EGFRCYP2D6HSD11B1PRMT5HPGD
SCHEMBL29531255 0.85 HSD11B1 (0.46) EGFRCYP2D6HSD11B1PRMT5HPGD
SCHEMBL23408954 0.82 PRMT5 (0.50) EGFRCYP2D6HSD11B1PRMT5HCAR1
SCHEMBL24457938 0.82 PRMT5 (0.44) EGFRCYP2D6HSD11B1PRMT5HRH3
SCHEMBL24457922 0.82 PRMT5 (0.50) EGFRCYP2D6HSD11B1PRMT5HCAR1
SCHEMBL24457962 0.82 PRMT5 (0.50) EGFRCYP2D6HSD11B1PRMT5HCAR1

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 2 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
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 — — 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-20230339922-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885CYP2D6 4065/4885HSD11B1 4180/4885

“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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