SCHEMBL4999

SCHEMBL4999

O=C(CO)NC1CC[N]C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 4/20 0.33
KMT2A Q03164 3/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
LMNA P02545 2/20 0.31
NCOR2 Q9Y618 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL666794 1.00 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL665298 1.00 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL4526940 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL3549900 0.83
SCHEMBL1489900 0.82 MTNR1A (0.41) SMN1; SMN2KMT2ANPSR1LMNAMEN1
SCHEMBL1578923 0.79 SMYD3 (0.46) SMN1; SMN2
SCHEMBL8102383 0.77 GNAI3 (0.49) SMN1; SMN2HPGDKMT2AALDH1A1HDAC3
SCHEMBL1578941 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AEPHX1ALDH1A1NPSR1
SCHEMBL2093857 0.75
SCHEMBL666297 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP claimed
EP-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 EP claimed
US-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-17 US claimed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US claimed
EP-2499144-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP claimed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
WO-2011058110-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP claimed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO claimed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 US disclosed
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-09-27 US disclosed
EP-3356367-A1 FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, CDK3, MAP3K13 SMN1; SMN2 3975/4885HPGD 2368/4885KMT2A 1685/4885
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors PI4KA, PI4KB, PI4K2B SMN1; SMN2 4222/4885HPGD 3181/4885KMT2A 2193/4885
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB SMN1; SMN2 4769/4885HPGD 3977/4885KMT2A 2326/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 SMN1; SMN2 3207/4885HPGD 1546/4885KMT2A 1399/4885

“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.