SCHEMBL2196289

SCHEMBL2196289

O=[N+]([O-])c1ccc(Oc2ncnc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.51
TP53 P04637 2/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.48
PI4KA P42356 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ADCY1 Q08828 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL4412702 0.85 CYP2C19 (0.56) CYP1A2HPGDCYP2C19TP53CYP2C9
SCHEMBL2200991 0.85 PI4KA (0.59) CYP1A2HPGDCYP2C19TP53CYP2C9
SCHEMBL5044588 0.78 CYP1A2 (0.75) CYP1A2HPGDTP53BLMTSHR
SCHEMBL15165604 0.77 SLC29A1 (0.48) CYP1A2HPGDTP53BLMSLC29A1
SCHEMBL13239682 0.77 SLC29A1 (0.48) CYP1A2HPGDTP53BLMSLC29A1
SCHEMBL4263700 0.75 SMN1; SMN2 (0.50) CYP1A2HPGDCYP2C19TP53CYP2C9
SCHEMBL5040898 0.75 CYP1A2 (0.70) CYP1A2HPGDTP53BLMTSHR
SCHEMBL1789417 0.75 MERTK (0.47) CYP1A2CYP2C19TP53CYP2C9NFKB1
SCHEMBL1789418 0.74 CYP2C19 (0.41) CYP1A2HPGDCYP2C19TP53CYP2C9
SCHEMBL30984000 0.74 CYP2C19 (0.61) CYP1A2HPGDCYP2C19TP53CYP2C9

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
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
EP-1773826-A4 C-MET MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2009-06-03 EP disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
EP-1773826-A2 C-MET MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 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 (1 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-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR CYP1A2 3698/4885HPGD 4380/4885CYP2C19 2569/4885

“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.