SCHEMBL5526

SCHEMBL5526

O=Cc1cc2c(F)cc(F)cc2nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
MPI P34949 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ERN1 O75460 1/20 0.41
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11955245 0.81 ERN1 (0.42) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL15941609 0.76 CYP1A2 (0.57) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL32662668 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL6509 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL3939862 0.74 CYP1A2 (0.48) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL29707567 0.74 CYP1A2 (0.64) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL4196895 0.74 CYP1A2 (0.64) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL27883300 0.73 KDM4E (0.33) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL31633210 0.72 CYP1A2 (0.47) ALDH1A1KDM4EMEN1MAPTMPI
SCHEMBL2113974 0.72 KDM4E (0.33) ALDH1A1KDM4EMEN1MAPTMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622242-B Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2013-07-17 CN disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058112-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed
CN-101622242-A Bicyclic derivatives as CETP inhibitors NOVARTIS AG 2010-01-06 CN disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 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 (3 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-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 ALDH1A1 3563/4885KDM4E 1621/4885MEN1 4636/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA ALDH1A1 1059/4885KDM4E 3834/4885MEN1 3999/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 ALDH1A1 3563/4885KDM4E 1621/4885MEN1 4636/4885

“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.