SCHEMBL25407551

SCHEMBL25407551

CC(C)[Si](OCc1ccc2nc(N)n([C@@H]3CCCCN(C(=O)O)C3)c2c1)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.35
▸ EGFR P00533 3/20 0.34
▸ MET P08581 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CMKLR1 Q99788 3/20 0.32
▸ SPR P35270 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OGFRL1 Q5TC84 1/20 0.32

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
SCHEMBL30528200 0.89 OPRM1 (0.38) EGFROPRM1OPRD1OPRK1OGFRL1
SCHEMBL572645 0.82 ALK (0.42) ALKMETSPR
SCHEMBL572301 0.78 ALK (0.47) ALKMETCYP2D6CYP3A4CYP2C9
SCHEMBL572300 0.78 ALK (0.47) ALKMETCYP2D6CYP3A4CYP2C9
SCHEMBL25404859 0.78 ALK (0.39) ALKEGFRMETCYP2D6CYP3A4
SCHEMBL25404464 0.76 GFER (0.36) —
SCHEMBL25404455 0.76 GFER (0.36) —
SCHEMBL18262106 0.71 EGFR (0.46) EGFR
SCHEMBL25406382 0.71 EGFR (0.47) EGFRCYP2D6CYP3A4CYP2C9
SCHEMBL25406377 0.71 EGFR (0.47) EGFRCYP2D6CYP3A4CYP2C9

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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — 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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALK 85/4885EGFR 1/4885MET 6/4885

“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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