SCHEMBL6329638

SCHEMBL6329638

CCC(Nc1ccc(CCCN(C)C)cc1)=C1C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.40
CHEK1 O14757 2/20 0.39
KDR P35968 2/20 0.39
AURKB Q96GD4 2/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
GSK3A P49840 1/20 0.39
CDK9 P50750 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
SCHEMBL6329619 1.00 RET (0.40) RETCHEK1KDRAURKBDAPK3
SCHEMBL6337023 0.94 HRH3 (0.43) RETCHEK1KDRAURKBDAPK3
SCHEMBL6337033 0.94 HRH3 (0.43) RETCHEK1KDRAURKBDAPK3
SCHEMBL6337716 0.90 RET (0.39) RETCHEK1KDRAURKBDAPK3
SCHEMBL6337728 0.90 RET (0.39) RETCHEK1KDRAURKBDAPK3
SCHEMBL7475197 0.88 RET (0.41) RETCHEK1KDRAURKBPDGFRB
SCHEMBL6337430 0.88 RET (0.41) RETCHEK1KDRAURKBPDGFRB
SCHEMBL6337435 0.88 RET (0.41) RETCHEK1KDRAURKBPDGFRB
SCHEMBL6337188 0.88 ROCK2 (0.43) RETCHEK1CYP3A4CYP2C19EGFR
SCHEMBL6337196 0.88 ROCK2 (0.43) RETCHEK1CYP3A4CYP2C19EGFR

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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI RET 154/4885CHEK1 145/4885KDR 64/4885

“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.