SCHEMBL2201014

SCHEMBL2201014

CCC1OC(=C2C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.47
KDR P35968 9/20 0.47
KIT P10721 8/20 0.47
FGFR1 P11362 1/20 0.44
FLT3 P36888 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CCNT1 O60563 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 2/20 0.36

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
SCHEMBL2201012 1.00 PDGFRB (0.47) PDGFRBKDRKITFGFR1FLT3
SCHEMBL2201415 0.90 CYP1A2 (0.47) FGFR1CYP1A2CYP3A4TSHRNPC1
SCHEMBL2201412 0.90 CYP1A2 (0.47) FGFR1CYP1A2CYP3A4TSHRNPC1
SCHEMBL2201970 0.85 PDGFRB (0.45) PDGFRBKDRKITFGFR1FLT3
SCHEMBL2201974 0.85 PDGFRB (0.45) PDGFRBKDRKITFGFR1FLT3
SCHEMBL6101420 0.83 FLT3 (0.49) PDGFRBKDRKITFLT3LRRK2
SCHEMBL6101424 0.83 FLT3 (0.49) PDGFRBKDRKITFLT3LRRK2
SCHEMBL2200173 0.80 PDGFRB (0.46) PDGFRBKDRKITFGFR1FLT3
SCHEMBL2200176 0.80 PDGFRB (0.46) PDGFRBKDRKITFGFR1FLT3
SCHEMBL2199215 0.78 LRRK2 (0.36) PDGFRBKDRKITFLT3LRRK2

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-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 WO 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 (2 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 PDGFRB 11/4885KDR 25/4885KIT 367/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 PDGFRB 11/4885KDR 25/4885KIT 367/4885

“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.