SCHEMBL3935527

SCHEMBL3935527

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccc4c(c3)OOC4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MELK Q14680 8/20 0.38
PDGFRB P09619 3/20 0.38
FGFR1 P11362 3/20 0.38
FLT1 P17948 3/20 0.38
FGFR3 P22607 3/20 0.38
KDR P35968 3/20 0.38
ABL1 P00519 2/20 0.38
CSF1R P07333 2/20 0.38
RET P07949 2/20 0.38
KIT P10721 2/20 0.38
PDGFRA P16234 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FLT4 P35916 2/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
FLT3 P36888 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL3935847 0.92 AAK1 (0.41) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL3936697 0.92 AAK1 (0.40) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL5859710 0.90 AAK1 (0.39) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL5858175 0.90 AAK1 (0.45) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL5858197 0.89 AAK1 (0.39) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL5856625 0.89 AAK1 (0.40) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL3940669 0.89 AAK1 (0.40) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL3939898 0.89 AAK1 (0.41) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL3935532 0.89 ALDH1A1 (0.43) AAK1MELKPDGFRBFGFR1FLT1
SCHEMBL3935535 0.89 ALDH1A1 (0.43) AAK1MELKPDGFRBFGFR1FLT1

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP claimed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US claimed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US claimed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 AAK1 1459/4885MELK 290/4885PDGFRB 609/4885

“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.