SCHEMBL3143768

SCHEMBL3143768

CC(C)C(=O)N(CCN(C)C)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 11/20 0.62
PHLPP2 Q6ZVD8 1/20 0.43
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL14174739 0.85 MLYCD (0.63) MLYCDALDH1A1HPGD
SCHEMBL3142097 0.81 PHLPP2 (0.46) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL3161758 0.79 MLYCD (0.56) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL3146589 0.79 PHLPP2 (0.44) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL3147820 0.76 TP53 (0.61) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL3152403 0.75 ADRA2C (0.55) PHLPP2ALDH1A1CYP3A4TP53TSHR
SCHEMBL4482469 0.75 PHLPP2 (0.44) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL55543 0.74 PHLPP2 (0.43) MLYCDPHLPP2ALDH1A1CYP3A4MAPK1
SCHEMBL3156492 0.73 CNR2 (0.49) ALDH1A1TP53KDM4E
SCHEMBL4483065 0.73 MLYCD (0.46) MLYCDPHLPP2ALDH1A1CYP3A4KDM4E

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 9 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
CN-100455568-C 6-position substituted indoline, production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2009-01-28 CN 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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US 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 MLYCD 4039/4885PHLPP2 1485/4885ALDH1A1 2036/4885

“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.