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Sugi Predict / Compounds / SCHEMBL4309396

SCHEMBL4309396

SCHEMBL4309396

CC1(C)OC(=C2C(=O)Nc3ccc(F)cc32)c2ccc(CCN3CCC(O)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 12/20 0.38
▸ KDR P35968 12/20 0.38
▸ KIT P10721 7/20 0.38
▸ FLT3 P36888 5/20 0.38
▸ FGFR1 P11362 5/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ LCK P06239 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PHKG2 P15735 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL4309393 1.00 PDGFRB (0.38) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6102322 0.95 PDGFRB (0.40) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6102326 0.95 PDGFRB (0.40) PDGFRBKDRKITFLT3FGFR1
SCHEMBL4311307 0.91 PDGFRB (0.41) PDGFRBKDRKITFLT3CHEK1
SCHEMBL4311309 0.91 PDGFRB (0.41) PDGFRBKDRKITFLT3CHEK1
SCHEMBL6101503 0.85 PDGFRB (0.39) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6101501 0.85 PDGFRB (0.39) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6103566 0.85 PDGFRB (0.41) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6103573 0.85 PDGFRB (0.41) PDGFRBKDRKITFLT3FGFR1
SCHEMBL6103470 0.84 KCNJ1 (0.39) PDGFRBKDRKITFLT3FGFR1

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-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 — — US claimed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 — — US claimed
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.