SCHEMBL4507295

SCHEMBL4507295

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.44
▸ SYK P43405 1/20 0.44
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ ACP1 P24666 1/20 0.39

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
SCHEMBL4509993 0.93 EGFR (0.43) EGFRSYKMEN1KMT2AGAA
SCHEMBL4506771 0.91 EGFR (0.43) EGFRMEN1KMT2AGAANPC1
SCHEMBL4509909 0.91 EGFR (0.43) EGFRSYKMEN1KMT2AGAA
SCHEMBL13674083 0.91 EGFR (0.43) EGFRMEN1KMT2AGAANPC1
SCHEMBL8222461 0.82 LMNA (0.44) EGFRMEN1KMT2AABCG2RXFP1
SCHEMBL13674082 0.82 LMNA (0.44) EGFRMEN1KMT2AABCG2RXFP1
SCHEMBL4502530 0.79 MEN1 (0.50) EGFRMEN1KMT2AGAARXFP1
SCHEMBL4502535 0.79 MEN1 (0.50) EGFRMEN1KMT2AGAARXFP1
SCHEMBL4502538 0.79 MEN1 (0.50) EGFRMEN1KMT2AGAARXFP1
SCHEMBL4522060 0.76 ACP1 (0.51) EGFRMEN1KMT2AGAARXFP1

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 4 patents. 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
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT EGFR 50/4885SYK 2554/4885MEN1 4237/4885

“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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