SCHEMBL2202402

SCHEMBL2202402

CCC1OC(=C2C(=O)Nc3ccc(F)cc32)c2cnccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.37
ROCK2 O75116 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDGFRB P09619 6/20 0.35
FGFR1 P11362 1/20 0.35
KIT P10721 5/20 0.34
KDR P35968 5/20 0.34
TOP1 P11387 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
FLT3 P36888 3/20 0.33
RET P07949 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
MAPT P10636 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL2202400 1.00 LRRK2 (0.37) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL2200632 0.92 ROCK2 (0.38) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL12225707 0.92 ROCK2 (0.38) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL2200634 0.92 ROCK2 (0.38) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL2199215 0.84 LRRK2 (0.36) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL2199218 0.84 LRRK2 (0.36) LRRK2ROCK2MEN1KMT2APDGFRB
SCHEMBL2203048 0.82 SCN10A (0.35) LRRK2MEN1KMT2APDGFRBKIT
SCHEMBL2203053 0.82 SCN10A (0.35) LRRK2MEN1KMT2APDGFRBKIT
SCHEMBL2201896 0.80 KDR (0.36) LRRK2MEN1KMT2APDGFRBFGFR1
SCHEMBL2201894 0.80 KDR (0.36) LRRK2MEN1KMT2APDGFRBFGFR1

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 LRRK2 339/4885ROCK2 79/4885MEN1 2387/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 LRRK2 339/4885ROCK2 79/4885MEN1 2387/4885

“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.