SCHEMBL1976930

SCHEMBL1976930

O=C1Nc2ccc(F)cc2[C@]12C[C@H]2c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 11/20 0.63
AURKB Q96GD4 8/20 0.63
FLT3 P36888 2/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 1/20 0.41
ACHE P22303 1/20 0.40
PGR P06401 1/20 0.40
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL1972820 1.00 PLK4 (0.63) PLK4AURKBFLT3CYP2C19CYP1A2
SCHEMBL1974030 1.00 PLK4 (0.63) PLK4AURKBFLT3CYP2C19CYP1A2
SCHEMBL5568093 0.92 PLK4 (0.57) PLK4AURKBFLT3CYP2C19KMT2A
SCHEMBL1975786 0.89 PLK4 (0.49) PLK4AURKBFLT3CYP2C19KMT2A
SCHEMBL1973655 0.89 PLK4 (0.49) PLK4AURKBFLT3CYP2C19KMT2A
SCHEMBL1976224 0.84 PLK4 (0.46) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL1973312 0.84 PLK4 (0.46) PLK4AURKBFLT3CYP2C19TP53
SCHEMBL14547305 0.81 PLK4 (0.49) PLK4AURKBFLT3CYP2C19KMT2A
SCHEMBL1975208 0.81 AURKB (0.57) PLK4AURKBFLT3CYP2C19MAPT
SCHEMBL1976316 0.81 AURKB (0.57) PLK4AURKBFLT3CYP2C19MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PLK4 1385/4885AURKB 3942/4885FLT3 4115/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PLK4 1323/4885AURKB 3954/4885FLT3 4159/4885

“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.