SCHEMBL2530953

SCHEMBL2530953

O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCO5)cn4)sc23)c(F)c1F)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.41
MET P08581 7/20 0.41
KIT P10721 2/20 0.38
NTRK1 P04629 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK2 Q16620 1/20 0.38
MST1R Q04912 12/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
RIPK2 O43353 1/20 0.37
ERN1 O75460 1/20 0.37
STK10 O94804 1/20 0.37
MAP3K6 O95382 1/20 0.37
ABL1 P00519 1/20 0.37
ESR1 P03372 1/20 0.37
RET P07949 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
BCR P11274 1/20 0.37
FGFR1 P11362 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
SCHEMBL2534618 0.85 MET (0.44) KDRMETKITNTRK1AXL
SCHEMBL1478773 0.85 MET (0.53) KDRMETKITNTRK1AXL
SCHEMBL14840045 0.82 MET (0.49) KDRMETKITNTRK1AXL
SCHEMBL14839803 0.82 MET (0.48) KDRMETKITNTRK1AXL
SCHEMBL2539219 0.81 MET (0.36) KDRMETKITNTRK1AXL
SCHEMBL14839976 0.81 MET (0.51) KDRMETKITNTRK1AXL
SCHEMBL14987881 0.81 MET (0.45) KDRMETKITNTRK1AXL
SCHEMBL14839788 0.80 MET (0.49) KDRMETKITNTRK1AXL
SCHEMBL2539460 0.80 MET (0.61) KDRMETKITNTRK1AXL
SCHEMBL2535092 0.80 MET (0.40) KDRMETKITNTRK1AXL

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
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
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO 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

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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 KDR 5/4885MET 138/4885KIT 469/4885
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 KDR 2/4885MET 49/4885KIT 222/4885

“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.