SCHEMBL2533879

SCHEMBL2533879

COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)n1C)C(=O)COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 10/20 0.41
MET P08581 16/20 0.38
KDR P35968 15/20 0.38
AXL P30530 2/20 0.36
FLT3 P36888 2/20 0.36
NTRK1 P04629 1/20 0.36
KIT P10721 1/20 0.36
NTRK2 Q16620 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK4 O00444 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
LYN P07948 1/20 0.35
HCK P08631 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL2536602 0.92 MST1R (0.41) MST1RMETKDRAXLFLT3
SCHEMBL1674692 0.91 MST1R (0.41) MST1RMETKDRAXLFLT3
SCHEMBL1674694 0.91 MST1R (0.41) MST1RMETKDRAXLFLT3
SCHEMBL2534904 0.90 MST1R (0.42) MST1RMETKDRAXLFLT3
SCHEMBL12245369 0.89 MST1R (0.42) MST1RMETKDRAXLFLT3
SCHEMBL10164482 0.88 MST1R (0.51) MST1RMETKDRAXLFLT3
SCHEMBL10202165 0.86 MST1R (0.38) MST1RMETKDRAXLFLT3
SCHEMBL2534614 0.86 MET (0.41) MST1RMETKDRAXLFLT3
SCHEMBL2529307 0.83 MET (0.46) MST1RMETKDRAXLFLT3
SCHEMBL2538749 0.81 MST1R (0.43) MST1RMETKDRAXLFLT3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-8455484-B2 Selected inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-06-04 US disclosed
US-8455484-B2 Selected inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-06-04 US disclosed
US-8455484-B2 Selected inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-06-04 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257175-A1 Selected Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257175-A1 Selected Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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 (3 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 MST1R 150/4885MET 138/4885KDR 5/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 MST1R 105/4885MET 49/4885KDR 2/4885
US-20110257175-A1 Selected Inhibitors of Protein Tyrosine Kinase Activity ABL1, PRKDC, PRKACA MST1R 586/4885MET 669/4885KDR 448/4885

“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.