SCHEMBL7052008

SCHEMBL7052008

COc1cc(Nc2cccc(-c3ccc4c(c3)OCO4)n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BRAF P15056 8/20 0.49
EPHB4 P54760 3/20 0.48
TP53 P04637 2/20 0.45
FLT3 P36888 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MDM4 O15151 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL7117471 0.82 BRAF (0.56) NPC1RAB9ABRAFFLT3KDM4E
SCHEMBL6981394 0.81 CLK1 (0.69) EPHB4KDM4EALDH1A1POLB
SCHEMBL6901887 0.80 BRAF (0.54) NPC1RAB9ABRAFFLT3KDM4E
SCHEMBL6895308 0.80 IGF1R (0.58) BRAFFLT3
SCHEMBL6900559 0.80 BRAF (0.59) BRAFKDM4EUSP2POLB
SCHEMBL4342843 0.76 RET (0.69) NPC1MAPTTDP1
SCHEMBL7010764 0.75 PDE5A (0.59) NPC1RAB9AMAPTTDP1EPHB4
SCHEMBL6976166 0.75 EPHB4 (0.69) EPHB4FLT3
SCHEMBL6893744 0.74 BRAF (0.53) BRAFFLT3MEN1HPGDKMT2A
SCHEMBL6897653 0.73 IGF1R (0.63) BRAFFLT3

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 7 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
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 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 (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 NPC1 1405/4885RAB9A 3094/4885MAPT 403/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 NPC1 1405/4885RAB9A 3094/4885MAPT 403/4885

“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.