SCHEMBL228447

SCHEMBL228447

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
MCHR1 Q99705 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
FFAR1 O14842 8/20 0.37
FFAR4 Q5NUL3 5/20 0.36
PPARG P37231 1/20 0.36
AURKA O14965 1/20 0.35
TGM2 P21980 1/20 0.35
LIMK2 P53671 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 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
SCHEMBL228448 1.00 BACE1 (0.41) BACE1MCHR1NR1H4FFAR1FFAR4
SCHEMBL5314059 1.00 BACE1 (0.41) BACE1MCHR1NR1H4FFAR1FFAR4
Hydrochloric Acid SCHEMBL1943757 0.99 BACE1 (0.41) BACE1MCHR1NR1H4FFAR1FFAR4
Hydrochloric Acid SCHEMBL1943759 0.99 BACE1 (0.41) BACE1MCHR1NR1H4FFAR1FFAR4
SCHEMBL224596 0.93 BACE1 (0.41) BACE1NR1H4FFAR1FFAR4PPARG
SCHEMBL224595 0.93 BACE1 (0.41) BACE1NR1H4FFAR1FFAR4PPARG
SCHEMBL228645 0.92 BACE1 (0.38) BACE1NR1H4FFAR1FFAR4PPARG
SCHEMBL228644 0.92 BACE1 (0.38) BACE1NR1H4FFAR1FFAR4PPARG
SCHEMBL225215 0.92 BACE1 (0.39) BACE1NR1H4FFAR1FFAR4PPARG
SCHEMBL225379 0.92 BACE1 (0.43) BACE1FFAR1HDAC3HDAC1HDAC2

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 EP claimed
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US claimed
US-8591895-B2 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-26 US claimed
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP claimed
EP-2238108-B1 SALT FORMS OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME BOEHRINGER INGELHEIM INT (DE) 2012-08-29 EP claimed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US claimed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US claimed
US-8143247-B2 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-27 US claimed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US claimed
EP-2340837-A1 Combination treatment of cancer comprising EGFR/HER2 inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP claimed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US claimed
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 claimed
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US claimed
US-20060058311-A1 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US claimed
WO-2006018182-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-23 WO claimed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP claimed
EP-1523473-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-04-20 EP claimed
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 claimed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO claimed
WO-2004009547-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 BACE1 2383/4885MCHR1 1310/4885NR1H4 97/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR BACE1 2157/4885MCHR1 664/4885NR1H4 563/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR BACE1 1615/4885MCHR1 666/4885NR1H4 544/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR BACE1 2157/4885MCHR1 664/4885NR1H4 563/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 BACE1 2425/4885MCHR1 2298/4885NR1H4 681/4885
US-20060058311-A1 Combinations for the treatment of diseases involving cell proliferation CCNA1, MKI67, CCNA2 BACE1 2425/4885MCHR1 2298/4885NR1H4 681/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885MCHR1 1310/4885NR1H4 97/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885MCHR1 1310/4885NR1H4 97/4885

“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.