Sugi Predict

Sugi Predict / Compounds / SCHEMBL4306843

SCHEMBL4306843

SCHEMBL4306843

COCCN(C)Cc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.39
▸ KDR P35968 5/20 0.39
▸ KIT P10721 4/20 0.39
▸ GRM2 Q14416 1/20 0.37
▸ CASP3 P42574 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ RET P07949 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ TOP1 P11387 2/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ ABCB1 P08183 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
SCHEMBL4306845 1.00 PDGFRB (0.39) PDGFRBKDRKITGRM2CASP3
SCHEMBL4304673 0.94 PDGFRB (0.38) PDGFRBKDRKITCASP3FLT3
SCHEMBL4304677 0.94 PDGFRB (0.38) PDGFRBKDRKITCASP3FLT3
SCHEMBL4305288 0.92 PDGFRB (0.36) PDGFRBKDRKITCASP3FLT3
SCHEMBL4305289 0.92 PDGFRB (0.36) PDGFRBKDRKITCASP3FLT3
SCHEMBL4308613 0.90 KDR (0.41) PDGFRBKDRKITFLT3RET
SCHEMBL6103916 0.90 SRC (0.38) PDGFRBKDRKITCASP3FLT3
SCHEMBL6103920 0.90 SRC (0.38) PDGFRBKDRKITCASP3FLT3
SCHEMBL4308617 0.90 KDR (0.41) PDGFRBKDRKITFLT3RET
SCHEMBL4304632 0.88 PDGFRB (0.36) PDGFRBKDRKITCASP3FLT3

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-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 — — US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 — — US disclosed
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-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 — — 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-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 — — 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-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 — — 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 368/4885KDR 51/4885KIT 339/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885KIT 339/4885
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 502/4885KDR 320/4885KIT 683/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885KIT 339/4885

“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.