SCHEMBL4502845

SCHEMBL4502845

CN1CCN(CCC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.41
FLT3 P36888 3/20 0.40
CSF1R P07333 3/20 0.40
PDGFRB P09619 3/20 0.40
FLT1 P17948 3/20 0.40
KDR P35968 3/20 0.40
ABL1 P00519 2/20 0.40
RET P07949 2/20 0.40
KIT P10721 2/20 0.40
FGFR1 P11362 2/20 0.40
FGFR3 P22607 2/20 0.40
CHEK1 O14757 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
PHKG2 P15735 1/20 0.40
AXL P30530 1/20 0.40
ABL2 P42684 1/20 0.40
PTK2 Q05397 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTK2B Q14289 1/20 0.40

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
SCHEMBL4502848 1.00 MELK (0.41) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4496942 0.93 BACE1 (0.36) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4496948 0.93 BACE1 (0.36) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4501637 0.93 MELK (0.48) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4501633 0.93 MELK (0.48) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4500359 0.91 TP53 (0.42) AAK1TERTPAK1LMNA
SCHEMBL4500356 0.91 TP53 (0.42) AAK1TERTPAK1LMNA
SCHEMBL4498314 0.90 MELK (0.46) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4498313 0.90 MELK (0.46) MELKFLT3CSF1RPDGFRBFLT1
SCHEMBL4487321 0.90 CCNT1 (0.40) LMNAEPHX2

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 MELK 579/4885FLT3 34/4885CSF1R 887/4885

“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.