SCHEMBL228040

SCHEMBL228040

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(CC#N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.42
BACE1 P56817 1/20 0.36
CYP3A4 P08684 2/20 0.35
DYRK1A Q13627 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT3 P36888 2/20 0.33
MCHR1 Q99705 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CASP3 P42574 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
AURKA O14965 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 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
SCHEMBL228039 1.00 ROCK2 (0.42) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL228331 0.89 BACE1 (0.40) ROCK2BACE1CYP3A4DYRK1AFLT3
SCHEMBL228332 0.89 BACE1 (0.40) ROCK2BACE1CYP3A4DYRK1AFLT3
SCHEMBL226953 0.89 ROCK2 (0.41) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL226952 0.89 ROCK2 (0.41) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL227646 0.87 ROCK2 (0.40) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL227647 0.87 ROCK2 (0.40) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL224439 0.87 ROCK2 (0.40) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL224440 0.87 ROCK2 (0.40) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL4504089 0.86 BACE1 (0.43) ROCK2BACE1DYRK1AFLT3MAOA

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 12 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
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
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 2383/4885CYP3A4 1655/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ROCK2 401/4885BACE1 2157/4885CYP3A4 1304/4885
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 1615/4885CYP3A4 441/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ROCK2 401/4885BACE1 2157/4885CYP3A4 1304/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885BACE1 2383/4885CYP3A4 1655/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ROCK2 1891/4885BACE1 2383/4885CYP3A4 1655/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ROCK2 473/4885BACE1 2291/4885CYP3A4 1225/4885

“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.