SCHEMBL227646

SCHEMBL227646

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.40
BACE1 P56817 1/20 0.38
CYP3A4 P08684 2/20 0.35
DYRK1A Q13627 2/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TNKS O95271 1/20 0.33
MCHR1 Q99705 1/20 0.33
FPR2 P25090 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CASP3 P42574 1/20 0.33
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 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
SCHEMBL227647 1.00 ROCK2 (0.40) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL226953 0.93 ROCK2 (0.41) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL226952 0.93 ROCK2 (0.41) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL228169 0.91 ROCK2 (0.42) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL228168 0.91 ROCK2 (0.42) ROCK2BACE1CYP3A4DYRK1ACYP2C19
SCHEMBL228331 0.90 BACE1 (0.40) ROCK2BACE1CYP3A4DYRK1ABRD4
SCHEMBL228332 0.90 BACE1 (0.40) ROCK2BACE1CYP3A4DYRK1ABRD4
SCHEMBL226590 0.90 FFAR1 (0.39) ROCK2BACE1CYP3A4CYP2C19
SCHEMBL226589 0.90 FFAR1 (0.39) ROCK2BACE1CYP3A4CYP2C19
SCHEMBL226980 0.89 CHEK1 (0.41) ROCK2BACE1CYP3A4DYRK1ACYP2C19

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 13 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
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.