SCHEMBL2735447

SCHEMBL2735447

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccc(OCCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CLK1 P49759 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2735375 1.00 PTGDR (0.45) PTGDRMEN1KMT2AGAAHPGD
SCHEMBL4412205 0.90 DRD3 (0.42) KDM4EMAPTNPC1ALDH1A1DRD3
SCHEMBL216183 0.89 DRD3 (0.42) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL2735429 0.89 DRD3 (0.42) MEN1KMT2AMAPTNPC1NPSR1
Hydrochloric Acid SCHEMBL215263 0.88 DRD3 (0.41) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL214368 0.85 DRD3 (0.41) MEN1KMT2AMAPTDRD3DRD2
SCHEMBL214053 0.85 DRD3 (0.38) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL2735368 0.85 LTA4H (0.47) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL215917 0.81 NPC1 (0.41) MAPTNPC1ALDH1A1DRD3DRD2
SCHEMBL214093 0.80 DRD3 (0.40) PTGDRMEN1KMT2AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 PTGDR 1355/4885MEN1 3504/4885KMT2A 437/4885

“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.