SCHEMBL657359

SCHEMBL657359

CC1(C)OB(c2ccc3c(c2)c(C#N)nn3C2CCCCO2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.34
▸ RET P07949 2/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL20765180 0.85 GAA (0.36) ATRRETDGAT2RXRARXRB
SCHEMBL31089969 0.85 GAA (0.36) ATRRETDGAT2RXRARXRB
SCHEMBL26924536 0.85 RET (0.31) RETDGAT2PRMT5WDR77
SCHEMBL29168077 0.85 IDO1 (0.35) RETDGAT2RXRARXRBRXRG
SCHEMBL6508680 0.83 RET (0.32) ATRRETDGAT2RXRARXRB
SCHEMBL30124206 0.83 RET (0.32) ATRRETDGAT2RXRARXRB
SCHEMBL26925293 0.82 RET (0.32) RETDGAT2RXRARXRBRXRG
SCHEMBL14800595 0.82 IDO1 (0.34) RETDGAT2RXRARXRBRXRG
SCHEMBL24805042 0.80 BACE1 (0.32) ATRRETDGAT2RXRARXRB
SCHEMBL20786559 0.79 CYP4F2 (0.39) ATRRETDGAT2CYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 — — US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 — — 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 ATR 1630/4885RET 588/4885DGAT2 4198/4885

“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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