SCHEMBL6893754

SCHEMBL6893754

CCOc1cccc(-c2ccc(Nc3cc(OC)c(OC)c(OC)c3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BRAF P15056 11/20 0.46
TGFBR1 P36897 1/20 0.46
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
PRKD3 O94806 1/20 0.45
EGFR P00533 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
LCK P06239 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
ZAP70 P43403 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45

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
SCHEMBL6893744 0.82 BRAF (0.53) MEN1KMT2ABRAFTGFBR1HPGD
SCHEMBL3244847 0.80 PLK1 (0.56) BRAFHPGDEGFRLCKABCB1
SCHEMBL4994832 0.73 BRAF (0.71) BRAF
SCHEMBL16248315 0.72 BRAF (0.54) MEN1KMT2ABRAFTGFBR1EGFR
SCHEMBL13356419 0.70 MAPK1 (0.50) FYNMEN1KMT2ABRAFHIF1A
SCHEMBL9260410 0.69 RXRA (0.66) HPGDFGFR1FGFR2FGFR3
SCHEMBL29426410 0.69 RXRA (0.66) HPGDFGFR1FGFR2FGFR3
SCHEMBL1122474 0.69 BRAF (0.83) BRAF
SCHEMBL11166327 0.68 FYN (0.51) FYN
SCHEMBL3239503 0.68 BRAF (0.45) MEN1KMT2ABRAFPRKD3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004510707-A 2004-04-08 JP claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US claimed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP claimed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US claimed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US disclosed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP disclosed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US disclosed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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 (2 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-20030225085-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 FYN 2299/4885MEN1 1822/4885KMT2A 2734/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 FYN 2299/4885MEN1 1822/4885KMT2A 2734/4885

“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.