SCHEMBL1973178

SCHEMBL1973178

O=C1Nc2ccccc2[C@@]12C[C@H]2c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.60
PLK4 O00444 9/20 0.48
AURKB Q96GD4 8/20 0.48
CYP2C19 P33261 1/20 0.48
FLT3 P36888 1/20 0.48
TNKS2 Q9H2K2 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL1975829 1.00 GSK3B (0.60) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL1972624 0.79 AURKB (0.57) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL1973511 0.79 AURKB (0.57) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL1973346 0.76 PLK4 (0.57) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL1974120 0.76 PLK4 (0.57) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL1974009 0.76 AURKB (0.60) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL19216470 0.76 GSK3B (0.59) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL30548926 0.76 GSK3B (0.59) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL2573765 0.76 GSK3B (0.59) GSK3BPLK4AURKBCYP2C19FLT3
SCHEMBL4778699 0.76 GSK3B (0.55) GSK3BPLK4AURKBCYP2C19FLT3

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 GSK3B 1183/4885PLK4 1385/4885AURKB 3942/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 GSK3B 1209/4885PLK4 1323/4885AURKB 3954/4885

“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.