SCHEMBL4498006

SCHEMBL4498006

CN(C)CC(=O)N(C)c1ccc(N)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
RORC P51449 1/20 0.34
HCRTR2 O43614 2/20 0.33
HCRTR1 O43613 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PGR P06401 2/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL3939407 0.77 ALDH1A1 (0.44) PDGFRBFGFR1KDRCYP1A2CYP3A4
SCHEMBL30879400 0.77 ALDH1A1 (0.44) PDGFRBFGFR1KDRCYP1A2CYP3A4
SCHEMBL13979471 0.76 ALDH1A1 (0.41) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL3145218 0.74 PPIB (0.46) PDGFRBFGFR1KDRCYP1A2CYP3A4
SCHEMBL15938563 0.73 KDM4E (0.44) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL2205068 0.73 ALDH1A1 (0.47) PDGFRBFGFR1KDRCYP3A4ALDH1A1
SCHEMBL4488744 0.72 SIGMAR1 (0.43) PDGFRBFGFR1KDRCYP3A4ALDH1A1
SCHEMBL19180611 0.72 KDM1A (0.40) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL29331645 0.71 S100B (0.58) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL4030930 0.70 CHEK1 (0.42) CYP1A2CYP3A4TSHRMAPK1ADRB2

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 PDGFRB 105/4885FGFR1 30/4885KDR 1/4885

“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.