SCHEMBL4493644

SCHEMBL4493644

CN1CCN(Cc2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
NTRK1 P04629 2/20 0.44
RET P07949 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.43
FAAH O00519 1/20 0.42
ATM Q13315 1/20 0.42
F10 P00742 2/20 0.42
SLC2A1 P11166 2/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
CACNA1G O43497 1/20 0.42
HDAC1 Q13547 1/20 0.42
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL4493647 1.00 PLK1 (0.46) PLK1NTRK1RETSMN1; SMN2ACHE
SCHEMBL4491690 0.92 GAA (0.45) SMN1; SMN2ACHEFAAHATMSLC2A1
SCHEMBL4491694 0.92 GAA (0.45) SMN1; SMN2ACHEFAAHATMSLC2A1
SCHEMBL4487333 0.91 FAAH (0.44) NTRK1RETACHEFAAHHDAC1
SCHEMBL4487341 0.91 FAAH (0.44) NTRK1RETACHEFAAHHDAC1
SCHEMBL4490221 0.91 GAA (0.47) SMN1; SMN2ACHEFAAHATM
SCHEMBL4490014 0.91 GAA (0.47) SMN1; SMN2ACHEFAAHATM
SCHEMBL4490218 0.91 GAA (0.47) SMN1; SMN2ACHEFAAHATM
SCHEMBL4490016 0.91 GAA (0.47) SMN1; SMN2ACHEFAAHATM
SCHEMBL4494567 0.90 NTRK1 (0.44) NTRK1RETSMN1; SMN2ACHEFAAH

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 PLK1 86/4885NTRK1 76/4885RET 8/4885

“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.