Sugi Predict

Sugi Predict / Compounds / SCHEMBL4497681

SCHEMBL4497681

SCHEMBL4497681

CCS(=O)(=O)O.CN1CCN(CC(=O)N(C)c2ccc(NC(=C3C(=O)Nc4cc(Cl)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB known ✓ P09619 2/20 0.44
▸ FGFR1 known ✓ P11362 2/20 0.44
▸ PDGFRA known ✓ P16234 2/20 0.44
▸ FLT1 known ✓ P17948 2/20 0.44
▸ FGFR2 known ✓ P21802 2/20 0.44
▸ FGFR4 known ✓ P22455 2/20 0.44
▸ FGFR3 known ✓ P22607 2/20 0.44
▸ FLT4 known ✓ P35916 2/20 0.44
▸ KDR known ✓ P35968 2/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ DRD4 P21917 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 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
SCHEMBL4497678 1.00 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL4485414 0.96 AAK1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL4485411 0.96 AAK1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL4492354 0.93 AAK1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL4492351 0.93 AAK1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL18825322 0.92 AAK1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL19283636 0.92 AAK1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR2
Water SCHEMBL30195876 0.91 AAK1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR2
Water SCHEMBL28936061 0.91 AAK1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR2
SCHEMBL4497708 0.91 DRD4 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — 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 (1 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR PDGFRB 105/4885FGFR1 30/4885PDGFRA 143/4885

“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.