SCHEMBL4509993

SCHEMBL4509993

CC[C@H](CNc1nc(-c2cc(Br)ccc2O)nc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.43
▸ SYK P43405 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CHEK1 O14757 2/20 0.38
▸ CHEK2 O96017 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GBA1 P04062 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL4507295 0.93 EGFR (0.44) EGFRSYKABCG2MEN1KMT2A
SCHEMBL4509909 0.90 EGFR (0.43) EGFRSYKABCG2MEN1KMT2A
SCHEMBL4506771 0.85 EGFR (0.43) EGFRABCG2MEN1KMT2ARXFP1
SCHEMBL13674083 0.85 EGFR (0.43) EGFRABCG2MEN1KMT2ARXFP1
SCHEMBL13674082 0.81 LMNA (0.44) EGFRABCG2MEN1KMT2ARXFP1
SCHEMBL8222461 0.81 LMNA (0.44) EGFRABCG2MEN1KMT2ARXFP1
SCHEMBL8228842 0.80 MEN1 (0.48) EGFRMEN1KMT2ARXFP1CHEK2
SCHEMBL4049100 0.80 AAK1 (0.43) EGFRSYKMAPTAAK1ALDH1A1
SCHEMBL4507644 0.77 MEN1 (0.49) EGFRMEN1KMT2ARXFP1CHEK2
SCHEMBL4507649 0.77 MEN1 (0.49) EGFRMEN1KMT2ARXFP1CHEK2

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT EGFR 50/4885SYK 2554/4885ABCG2 1675/4885

“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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