Sugi Predict

Sugi Predict / Compounds / SCHEMBL4305086

SCHEMBL4305086

SCHEMBL4305086

CCCN(CCO)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.37
▸ PDGFRB P09619 5/20 0.37
▸ KIT P10721 5/20 0.37
▸ FLT3 P36888 2/20 0.36
▸ RET P07949 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ TOP1 P11387 2/20 0.36
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL4305082 1.00 KDR (0.37) KDRPDGFRBKITFLT3RET
SCHEMBL4300901 0.94 KDR (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4300896 0.94 KDR (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4306668 0.94 KDR (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4306664 0.94 KDR (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4306666 0.93 CYP1A2 (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4306663 0.93 CYP1A2 (0.41) KDRPDGFRBKITFLT3RET
SCHEMBL4307439 0.92 KDR (0.38) KDRPDGFRBKITFLT3RET
SCHEMBL4307441 0.92 KDR (0.38) KDRPDGFRBKITFLT3RET
SCHEMBL13185769 0.91 KDR (0.37) KDRPDGFRBKITFLT3RET

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 KDR 51/4885PDGFRB 368/4885KIT 339/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885KIT 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 KDR 320/4885PDGFRB 502/4885KIT 683/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885KIT 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.