SCHEMBL2200593

SCHEMBL2200593

Nc1ccc(Oc2ncnc3c2cnn3C2CCCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
DRD1 P21728 1/20 0.39
FLT3 P36888 2/20 0.38
CYP2C9 P11712 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
PI4KA P42356 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
ADCY1 Q08828 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37

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
SCHEMBL1128399 0.85 CYP3A4 (0.59) CYP3A4ALDH1A1DRD1FLT3CYP2C9
SCHEMBL2200991 0.78 PI4KA (0.59) ALDH1A1FLT3CYP2C9TP53NFKB1
SCHEMBL2198668 0.78 MERTK (0.53) ABL1BCRDRD1FLT3
SCHEMBL2198672 0.77 CYP3A4 (0.37) CYP3A4ABL1DRD1FLT3HPGD
SCHEMBL1128620 0.75 CYP2C19 (0.41) ALDH1A1LMNAPOLBCYP2C9TP53
SCHEMBL12362928 0.75 ALDH1A1 (0.45) CYP3A4ALDH1A1LMNAPOLBDRD1
SCHEMBL1790658 0.75 MERTK (0.47) ALDH1A1LMNAPOLBFLT3MAPK1
SCHEMBL19464040 0.74 ALDH1A1 (0.46) ALDH1A1LMNAPOLB
SCHEMBL16809888 0.72 CYP2C19 (0.39) ALDH1A1LMNAPOLBCYP2C9TP53
SCHEMBL2020756 0.72 CYP3A4 (0.79) CYP3A4CYP2C9

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 CYP3A4 2050/4885ALDH1A1 2382/4885LMNA 3247/4885

“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.