SCHEMBL1974009

SCHEMBL1974009

O=C1Nc2ccccc2[C@@]12C[C@@H]2c1ccc(F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.60
PLK4 O00444 11/20 0.60
FLT3 P36888 2/20 0.57
CYP2C19 P33261 2/20 0.57
GSK3B P49841 1/20 0.50
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL1974392 0.84 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1976316 0.84 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1970402 0.84 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1975208 0.84 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1972573 0.84 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1972624 0.81 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1973511 0.81 AURKB (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1974120 0.81 PLK4 (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1973346 0.81 PLK4 (0.57) AURKBPLK4FLT3CYP2C19GSK3B
SCHEMBL1973178 0.76 GSK3B (0.60) AURKBPLK4FLT3CYP2C19GSK3B

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 AURKB 3942/4885PLK4 1385/4885FLT3 4115/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 AURKB 3954/4885PLK4 1323/4885FLT3 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.