SCHEMBL15210431

SCHEMBL15210431

COc1ccc([C@@H](C)N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.35
▸ ACHE P22303 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ AKT1 P31749 3/20 0.32
▸ RPS6KA1 Q15418 3/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ANPEP P15144 1/20 0.31

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
SCHEMBL31541634 0.87 EGFR (0.36) EGFRACHEALDH1A1HTTCA1
SCHEMBL15253671 0.82 ACHE (0.46) ACHEALDH1A1HTT
SCHEMBL1506465 0.81 AKR1C3 (0.46) ACHE
SCHEMBL15723428 0.79 TAAR1 (0.43) HTR2A
SCHEMBL18605502 0.78 ALDH1A1 (0.41) EGFRALDH1A1HTTCA1CA2
SCHEMBL137166 0.77 UCHL1 (0.41) CA1CA2
SCHEMBL15454943 0.76 ACHE (0.47) EGFRACHEALDH1A1HTTCSF1R
SCHEMBL16760910 0.76 CA1 (0.47) EGFRALDH1A1HTTCA1CA2
SCHEMBL30583102 0.76 CA1 (0.47) EGFRALDH1A1HTTCA1CA2
SCHEMBL23244847 0.76 HDAC4 (0.38) EGFRACHEALDH1A1HTTCA1

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
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 — — EP disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 — — US disclosed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 — — 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-20150038527-A1 FUROPYRIDINE DERIVATIVES SYK, LYN, BTK EGFR 252/4885ACHE 4087/4885ALDH1A1 2320/4885

“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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