SCHEMBL4496710

SCHEMBL4496710

CN(C(=O)CN1CCOCC1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
MELK Q14680 1/20 0.40
WNT3A P56704 1/20 0.39
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
PAK1 Q13153 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
LMNA P02545 2/20 0.38
BACE1 P56817 1/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4496713 1.00 ATM (0.41) ATMMELKWNT3AALDH1A1SMN1; SMN2
SCHEMBL4492883 0.93 MELK (0.41) MELKALDH1A1TP53NPC1RAB9A
SCHEMBL4492885 0.93 MELK (0.41) MELKALDH1A1TP53NPC1RAB9A
SCHEMBL4504918 0.92 MELK (0.40) MELKALDH1A1NPC1ACHEAAK1
SCHEMBL4504920 0.92 MELK (0.40) MELKALDH1A1NPC1ACHEAAK1
SCHEMBL4492795 0.91 MELK (0.40) MELKALDH1A1AAK1BACE1
SCHEMBL4501637 0.91 MELK (0.48) MELKALDH1A1AAK1BACE1
SCHEMBL4496540 0.91 MELK (0.42) MELKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4496542 0.91 MELK (0.42) MELKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2569449 0.91 AAK1 (0.41) MELKWNT3AALDH1A1SMN1; SMN2TP53

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 ATM 756/4885MELK 579/4885WNT3A 1056/4885

“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.