SCHEMBL4503073

SCHEMBL4503073

CN1CCN(CC(=O)N(C)c2cccc(NC(=C3C(=O)Nc4cc(Cl)ccc43)c3ccccc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
GHSR Q92847 3/20 0.39
PLK1 P53350 1/20 0.38
TACR1 P25103 1/20 0.38
MELK Q14680 7/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
CHEK1 O14757 3/20 0.37
PRKAB2 O43741 3/20 0.37
NUAK1 O60285 3/20 0.37
MAPK1 P28482 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA2 P54646 3/20 0.37
PRKAA1 Q13131 3/20 0.37
CAMKK2 Q96RR4 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37

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
SCHEMBL4503071 1.00 DRD4 (0.43) DRD4SMN1; SMN2AAK1GHSRPLK1
SCHEMBL4485411 0.92 AAK1 (0.46) DRD4SMN1; SMN2AAK1GHSRTACR1
SCHEMBL4485414 0.92 AAK1 (0.46) DRD4SMN1; SMN2AAK1GHSRTACR1
SCHEMBL4492354 0.89 AAK1 (0.44) DRD4SMN1; SMN2AAK1GHSRTACR1
SCHEMBL4492351 0.89 AAK1 (0.44) DRD4SMN1; SMN2AAK1GHSRTACR1
SCHEMBL4481631 0.89 AAK1 (0.41) AAK1MELKCHEK1PRKAB2NUAK1
SCHEMBL4481634 0.89 AAK1 (0.41) AAK1MELKCHEK1PRKAB2NUAK1
SCHEMBL4494115 0.89 SMN1; SMN2 (0.42) DRD4SMN1; SMN2AAK1GHSRPLK1
SCHEMBL4505075 0.89 SMN1; SMN2 (0.42) DRD4SMN1; SMN2AAK1GHSRPLK1
SCHEMBL4494118 0.89 SMN1; SMN2 (0.42) DRD4SMN1; SMN2AAK1GHSRPLK1

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 DRD4 1051/4885SMN1; SMN2 4006/4885AAK1 1080/4885

“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.