Sugi Predict

Sugi Predict / Compounds / SCHEMBL4304665

SCHEMBL4304665

SCHEMBL4304665

O=C1Nc2ccc(F)cc2C1=C1OCc2cc(CCNCCN3CCOCC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 11/20 0.49
▸ KDR P35968 11/20 0.49
▸ KIT P10721 9/20 0.49
▸ FGFR1 P11362 3/20 0.46
▸ KCNJ1 P48048 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ FLT3 P36888 3/20 0.39
▸ MAPK14 Q16539 3/20 0.39
▸ TLK2 Q86UE8 2/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ STK25 O00506 1/20 0.37
▸ CIT O14578 1/20 0.37
▸ RIOK3 O14730 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ CHUK O15111 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
SCHEMBL4304661 1.00 PDGFRB (0.49) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4302041 0.93 PDGFRB (0.47) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4302044 0.93 PDGFRB (0.47) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4305098 0.91 KCNJ1 (0.50) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4300904 0.91 KCNJ1 (0.50) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4300899 0.91 KCNJ1 (0.50) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL4305101 0.91 KCNJ1 (0.50) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL6103218 0.90 PDGFRB (0.46) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL6103213 0.90 PDGFRB (0.46) PDGFRBKDRKITFGFR1KCNJ1
SCHEMBL6087052 0.86 MAPK14 (0.50) PDGFRBKDRKITFGFR1LRRK2

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 368/4885KDR 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.