SCHEMBL6901887

SCHEMBL6901887

COc1cc(Nc2cccc(-c3ccc(C)c(C)c3)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.54
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
FLT3 P36888 1/20 0.48
RAF1 P04049 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
IGF1R P08069 1/20 0.46
JAK2 O60674 1/20 0.46
EGFR P00533 1/20 0.46
CDK2 P24941 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PTK2B Q14289 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
SCHEMBL7117471 0.87 BRAF (0.56) BRAFKDM4EFLT3RAF1NPC1
SCHEMBL6895308 0.85 IGF1R (0.58) BRAFFLT3IGF1R
SCHEMBL6900559 0.84 BRAF (0.59) BRAFKDM4EUSP2POLBIGF1R
SCHEMBL7060224 0.81 RAB9A (0.46) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL7052008 0.80 NPC1 (0.51) BRAFKDM4EUSP2POLBFLT3
SCHEMBL6893744 0.79 BRAF (0.53) BRAFFLT3MEN1KMT2AIGF1R
SCHEMBL6897653 0.78 IGF1R (0.63) BRAFFLT3IGF1R
SCHEMBL6897800 0.72 BRAF (0.57) BRAFKDM4EUSP2POLBIGF1R
SCHEMBL3624537 0.71 NPC1 (0.55) KDM4EPOLBMEN1NPC1RAB9A
SCHEMBL1122865 0.71 BRAF (0.71) BRAFRAF1

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 4006/4885KDM4E 3069/4885USP2 2471/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 BRAF 4006/4885KDM4E 3069/4885USP2 2471/4885

“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.