SCHEMBL6893744

SCHEMBL6893744

CCOc1cccc(-c2cccc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.53
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
LCK P06239 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
PRKCI P41743 1/20 0.47
ZAP70 P43403 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47
IGF1R P08069 3/20 0.46
TGFBR1 P36897 1/20 0.46
FLT3 P36888 1/20 0.46
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL6897653 0.83 IGF1R (0.63) BRAFPRKD3PRKCGPRKCBLCK
SCHEMBL6900559 0.83 BRAF (0.59) BRAFPRKD3PRKCGPRKCBLCK
SCHEMBL6893754 0.82 FYN (0.48) BRAFPRKD3PRKCGPRKCBLCK
SCHEMBL6895308 0.81 IGF1R (0.58) BRAFIGF1RFLT3
SCHEMBL7117471 0.81 BRAF (0.56) BRAFPRKD3PRKCGPRKCBLCK
SCHEMBL6901887 0.79 BRAF (0.54) BRAFIGF1RFLT3MEN1KMT2A
SCHEMBL6971200 0.76 ZAP70 (0.65) PRKD3PRKCGPRKCBLCKPRKCA
SCHEMBL3631400 0.75 FGFR1 (0.54) HPGD
SCHEMBL4994832 0.75 BRAF (0.71) BRAF
SCHEMBL6977138 0.74 ZAP70 (0.73) PRKD3PRKCGPRKCBLCKPRKCA

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 BRAF 4006/4885PRKD3 1352/4885PRKCG 2319/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 BRAF 4006/4885PRKD3 1352/4885PRKCG 2319/4885

“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.