SCHEMBL4305289

SCHEMBL4305289

COCCN(C)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.36
KIT P10721 4/20 0.36
KDR P35968 4/20 0.36
CASP3 P42574 2/20 0.36
SRC P12931 1/20 0.35
MAOB P27338 3/20 0.35
FLT3 P36888 3/20 0.34
RET P07949 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
TOP1 P11387 2/20 0.34
ABCB1 P08183 2/20 0.33
MAOA P21397 2/20 0.33
KCNJ1 P48048 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4305288 1.00 PDGFRB (0.36) PDGFRBKITKDRCASP3SRC
SCHEMBL6103916 0.95 SRC (0.38) PDGFRBKITKDRCASP3SRC
SCHEMBL6103920 0.95 SRC (0.38) PDGFRBKITKDRCASP3SRC
SCHEMBL4304632 0.93 PDGFRB (0.36) PDGFRBKITKDRCASP3SRC
SCHEMBL4304634 0.93 PDGFRB (0.36) PDGFRBKITKDRCASP3SRC
SCHEMBL4306845 0.92 PDGFRB (0.39) PDGFRBKITKDRCASP3SRC
SCHEMBL4306843 0.92 PDGFRB (0.39) PDGFRBKITKDRCASP3SRC
SCHEMBL4305792 0.91 KDR (0.39) PDGFRBKITKDRSRCFLT3
SCHEMBL4305789 0.91 KDR (0.39) PDGFRBKITKDRSRCFLT3
SCHEMBL6101953 0.90 KDR (0.37) PDGFRBKITKDRCASP3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KIT 339/4885KDR 51/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KIT 339/4885KDR 51/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 PDGFRB 502/4885KIT 683/4885KDR 320/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KIT 339/4885KDR 51/4885

“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.