SCHEMBL227634

SCHEMBL227634

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cccc(CC(N)=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
CYP3A4 P08684 2/20 0.39
BACE1 P56817 1/20 0.38
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.34
CASP3 P42574 3/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
AURKA O14965 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 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
NAMPT P43490 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL227636 1.00 ROCK2 (0.43) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL224440 0.92 ROCK2 (0.40) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL224439 0.92 ROCK2 (0.40) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL228168 0.92 ROCK2 (0.42) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL228169 0.92 ROCK2 (0.42) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL227240 0.92 ROCK2 (0.40) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL227241 0.92 ROCK2 (0.40) ROCK2CYP3A4BACE1CYP2C19DYRK1A
SCHEMBL226593 0.91 BACE1 (0.40) ROCK2CYP3A4BACE1CASP3MAOA
SCHEMBL226595 0.91 BACE1 (0.40) ROCK2CYP3A4BACE1CASP3MAOA
SCHEMBL225884 0.91 ROCK2 (0.39) ROCK2CYP3A4BACE1CYP2C19DYRK1A

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 15 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
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP 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 1891/4885CYP3A4 1655/4885BACE1 2383/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ROCK2 401/4885CYP3A4 1304/4885BACE1 2157/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ROCK2 392/4885CYP3A4 441/4885BACE1 1615/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ROCK2 401/4885CYP3A4 1304/4885BACE1 2157/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885CYP3A4 1655/4885BACE1 2383/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885CYP3A4 1655/4885BACE1 2383/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ROCK2 473/4885CYP3A4 1225/4885BACE1 2291/4885

“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.