SCHEMBL3159644

SCHEMBL3159644

CN(C(=O)CN(CCO)CCO)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 4/20 0.43
ALOX15 P16050 3/20 0.43
CYP2D6 P10635 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.43
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
MEN1 O00255 1/20 0.43
HIF1A Q16665 1/20 0.43
PPIB P23284 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL6325187 0.83 ALDH1A1 (0.46) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL3141964 0.83 PPIB (0.43) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL3145218 0.81 PPIB (0.46) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL13723886 0.80 PPIB (0.44) CYP3A4LMNATSHRALOX15KMT2A
SCHEMBL4506617 0.79 PPIB (0.47) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL3149099 0.79 MAPT (0.46) CYP3A4LMNATSHRALDH1A1MAPK1
SCHEMBL3153207 0.77 PHLPP2 (0.43) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL737988 0.75 ALDH1A1 (0.47) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL3156597 0.75 PHLPP2 (0.46) CYP3A4LMNATSHRALOX15CYP2D6
SCHEMBL9495188 0.74 TSHR (0.48) CYP3A4LMNATSHRALOX15CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US 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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 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 CYP3A4 441/4885LMNA 1884/4885TSHR 503/4885

“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.