SCHEMBL4491108

SCHEMBL4491108

CN1CCN(C(=O)c2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccc(CC(=O)O)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.45
PIM2 Q9P1W9 5/20 0.45
HPGD P15428 2/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
FABP6 P51161 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.40
PDGFRB P09619 1/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CACNA1G O43497 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 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
SCHEMBL4491113 1.00 PIM1 (0.45) PIM1PIM2HPGDUSP2POLB
SCHEMBL4489119 0.92 PIM1 (0.46) PIM1PIM2HPGDUSP2POLB
SCHEMBL4489125 0.92 PIM1 (0.46) PIM1PIM2HPGDUSP2POLB
SCHEMBL226990 0.92 PIM1 (0.44) PIM1PIM2HPGDUSP2POLB
SCHEMBL226989 0.92 PIM1 (0.44) PIM1PIM2HPGDUSP2POLB
SCHEMBL4504619 0.90 PIM1 (0.47) PIM1PIM2POLBLMNANAMPT
SCHEMBL4504622 0.90 PIM1 (0.47) PIM1PIM2POLBLMNANAMPT
SCHEMBL226898 0.90 EPHX2 (0.49) PIM1PIM2SMN1; SMN2NAMPTKMT2A
SCHEMBL226897 0.90 EPHX2 (0.49) PIM1PIM2SMN1; SMN2NAMPTKMT2A
SCHEMBL4487772 0.88 PIM1 (0.43) PIM1PIM2LMNASMN1; SMN2NAMPT

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 PIM1 895/4885PIM2 1326/4885HPGD 2420/4885

“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.