SCHEMBL436620

SCHEMBL436620

CCC(C)OC(=O)C(=CNc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
FPR2 P25090 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA2 P00918 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5046716 0.88 DHODH (0.58) DHODHKDM4EGAATDP1RAB9A
SCHEMBL395325 0.88 DHODH (0.46) DHODHTP53KDM4EGAATDP1
SCHEMBL3883132 0.87 DHODH (0.44) DHODHTP53KDM4ERAB9AFPR2
SCHEMBL846105 0.87 MAPT (0.45) DHODHKDM4EGAATDP1NPSR1
SCHEMBL62489 0.86 NPC1 (0.46) DHODHTDP1RAB9ANPSR1ALDH1A1
SCHEMBL3852129 0.86 ALDH1A1 (0.45) DHODHKDM4EGAARAB9ANPSR1
SCHEMBL3785519 0.84 PLK1 (0.42) DHODHRAB9ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7066341 0.83 KDM4E (0.44) DHODHKDM4EGAAALDH1A1MAPT
SCHEMBL5295057 0.81 GAA (0.47) DHODHTP53KDM4EGAARAB9A
SCHEMBL3370547 0.81 MAPT (0.45) DHODHKDM4EGAATDP1NPSR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220047-B1 Quinoline derivatives, pharmaceutical compositions comprising them, and use thereof CLANOTECH AB (SE) 2015-05-06 EP disclosed
US-8957092-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors CLANOTECH AB (SE) 2015-02-17 US disclosed
US-20140018388-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS CLANO TECH AB (SE) 2014-01-16 US disclosed
US-8557843-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors CLANOTECH AB (SE) 2013-10-15 US disclosed
EP-2432764-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS ClanoTech AB (SE) 2012-03-28 EP disclosed
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US disclosed
US-20110053976-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2011-03-03 US disclosed
WO-2010133669-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed
EP-2220047-A2 COMPOUNDS AND METHODS ClanoTech AB (SE) 2010-08-25 EP disclosed
WO-2009063070-A2 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2009-05-22 WO disclosed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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 (4 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-20110053976-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS BRAF, MAP3K1, MAP3K7 DHODH 1228/4885TP53 242/4885KDM4E 2483/4885
US-20140018388-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS BRAF, TYK2, MAP3K6 DHODH 853/4885TP53 252/4885KDM4E 1262/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 DHODH 1095/4885TP53 94/4885KDM4E 1106/4885
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS FLT1, FLT4, VEGFA DHODH 1007/4885TP53 58/4885KDM4E 3451/4885

“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.