SCHEMBL6897800

SCHEMBL6897800

COc1cc(Nc2cccc(-c3ccccc3Oc3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.57
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TGFBR1 P36897 3/20 0.47
IGF1R P08069 2/20 0.47
FYN P06241 1/20 0.47
RPS6KA2 Q15349 1/20 0.47
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL6900559 0.81 BRAF (0.59) BRAFPOLBKDM4EUSP2IGF1R
SCHEMBL19219203 0.80 CDK9 (0.57) KDM4EUSP2ALDH1A1MAPTCDK2
SCHEMBL6895308 0.77 IGF1R (0.58) BRAFIGF1R
SCHEMBL4332018 0.77 PIK3CG (0.58) BRAFFYN
SCHEMBL7117471 0.74 BRAF (0.56) BRAFKDM4EALDH1A1IGF1RCDK2
SCHEMBL6893744 0.74 BRAF (0.53) BRAFTGFBR1IGF1R
SCHEMBL6897653 0.73 IGF1R (0.63) BRAFTGFBR1IGF1RRPS6KA2
SCHEMBL1122460 0.72 BRAF (1.00) BRAF
SCHEMBL6901887 0.72 BRAF (0.54) BRAFPOLBKDM4EUSP2IGF1R
SCHEMBL1116441 0.71 IGF1R (0.76) BRAFALDH1A1MAPTTGFBR1IGF1R

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 4006/4885POLB 4405/4885KDM4E 3069/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 BRAF 4006/4885POLB 4405/4885KDM4E 3069/4885

“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.