SCHEMBL4523758

SCHEMBL4523758

CCc1cnc(-c2cc(Cl)ccc2O)nc1NC[C@@H](CC)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 2/20 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
SCHEMBL3978239 0.90 SYK (0.38) SYKTRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL3978233 0.90 SYK (0.38) SYKTRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL8231700 0.79 PRKD3 (0.45) SYKSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL4508610 0.79 SYK (0.39) SYKTRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL3910866 0.79 SYK (0.39) SYKTRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL4508603 0.79 SYK (0.39) SYKTRPA1SMN1; SMN2LMNAKDM4E
SCHEMBL4049100 0.74 AAK1 (0.43) SYKALDH1A1MAPTAAK1
SCHEMBL4514127 0.74 PRKD3 (0.43) SYKLMNAALDH1A1HPGDGAA
SCHEMBL4507295 0.74 EGFR (0.44) SYKSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL17571384 0.73 TRPA1 (0.51) SYKTRPA1SMN1; SMN2NPC1ALDH1A1

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 SYK 2554/4885TRPA1 982/4885SMN1; SMN2 4800/4885

“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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