SCHEMBL223604

SCHEMBL223604

COC(=O)CCc1cccc(/C(Nc2ccc(N(C)C(=O)C(C)(C)N)cc2)=C2/C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.35
BACE1 P56817 1/20 0.35
NOD2 Q9HC29 2/20 0.32
NOD1 Q9Y239 2/20 0.32
NOTUM Q6P988 1/20 0.32
CHEK1 O14757 2/20 0.32
KDR P35968 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
MAPK13 O15264 1/20 0.31
PDPK1 O15530 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
PRKCG P05129 1/20 0.31

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
SCHEMBL227013 0.93 SENP1 (0.36) SENP1BACE1NOTUMCHEK1KDR
SCHEMBL3533476 0.93 BACE1 (0.35) SENP1BACE1KDRAURKAFLT3
SCHEMBL224414 0.92 BACE1 (0.36) BACE1NOD2NOD1NOTUMCHEK1
SCHEMBL223606 0.88 SENP1 (0.36) SENP1BACE1NOD2NOD1CHEK1
SCHEMBL223605 0.88 SENP1 (0.36) SENP1BACE1NOD2NOD1CHEK1
SCHEMBL3531616 0.88 SENP1 (0.35) SENP1BACE1KDRAURKAFLT4
SCHEMBL226699 0.86 SMN1; SMN2 (0.38) BACE1NOTUMCHEK1BRD4PDGFRB
SCHEMBL226104 0.86 ROCK2 (0.39) BACE1NOD2NOD1CHEK1KDR
SCHEMBL226105 0.86 ROCK2 (0.39) BACE1NOD2NOD1CHEK1KDR
SCHEMBL4488531 0.85 BACE1 (0.41) BACE1NOTUMKDRAURKAFLT3

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 11 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-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-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 (6 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 SENP1 1879/4885BACE1 2383/4885NOD2 2173/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR SENP1 3603/4885BACE1 2157/4885NOD2 3300/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR SENP1 3603/4885BACE1 2157/4885NOD2 3300/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 SENP1 1879/4885BACE1 2383/4885NOD2 2173/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 SENP1 1879/4885BACE1 2383/4885NOD2 2173/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 SENP1 3393/4885BACE1 2291/4885NOD2 3275/4885

“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.