SCHEMBL226643

SCHEMBL226643

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(NCC(=O)O)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.39
BACE1 P56817 1/20 0.38
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
DYRK1A Q13627 1/20 0.34
KDR P35968 2/20 0.33
AURKA O14965 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
AURKC Q9UQB9 1/20 0.33
TGM2 P21980 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL226642 1.00 ROCK2 (0.39) ROCK2BACE1CA12CA1CA2
SCHEMBL225643 0.91 BACE1 (0.40) ROCK2BACE1DYRK1AKDRAURKA
SCHEMBL225644 0.91 BACE1 (0.40) ROCK2BACE1DYRK1AKDRAURKA
SCHEMBL227252 0.91 ROCK2 (0.39) ROCK2CA12CA1CA2CA4
SCHEMBL227253 0.91 ROCK2 (0.39) ROCK2CA12CA1CA2CA4
SCHEMBL227255 0.90 LSS (0.40) ROCK2CA12CA1CA2CA4
SCHEMBL227254 0.90 LSS (0.40) ROCK2CA12CA1CA2CA4
SCHEMBL228332 0.89 BACE1 (0.40) ROCK2BACE1DYRK1AKDRAURKA
SCHEMBL228331 0.89 BACE1 (0.40) ROCK2BACE1DYRK1AKDRAURKA
SCHEMBL224440 0.89 ROCK2 (0.40) ROCK2BACE1DYRK1ACYP3A4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 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
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 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
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006067175-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US 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 (7 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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 ROCK2 1891/4885BACE1 2383/4885CA12 4087/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ROCK2 401/4885BACE1 2157/4885CA12 4534/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ROCK2 392/4885BACE1 1615/4885CA12 4682/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ROCK2 401/4885BACE1 2157/4885CA12 4534/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885BACE1 2383/4885CA12 4087/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885BACE1 2383/4885CA12 4087/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ROCK2 473/4885BACE1 2291/4885CA12 4620/4885

“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.