SCHEMBL214093

SCHEMBL214093

NC(=O)c1c(C(=O)Nc2ccc(OCCCN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2Cl)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.40
DRD2 P14416 5/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGDR Q13258 1/20 0.37
HDAC1 Q13547 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HPGD P15428 2/20 0.36
CHEK2 O96017 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 1/20 0.35
SLC2A1 P11166 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL213323 0.85 LTA4H (0.46) HDAC1HPGD
SCHEMBL216182 0.84 DRD3 (0.41) DRD3DRD2MAPTCHEK2PARP1
Hydrochloric Acid SCHEMBL215262 0.83 ITGB3 (0.41) DRD3DRD2CHEK2PARP1
SCHEMBL214316 0.81 BTK (0.42) HDAC1GAA
SCHEMBL2735375 0.80 PTGDR (0.45) DRD3DRD2KMT2AMEN1MAPT
SCHEMBL2735447 0.80 PTGDR (0.45) DRD3DRD2KMT2AMEN1MAPT
SCHEMBL216123 0.80 PTGDR (0.44) KMT2AMEN1MAPTLMNAPTGDR
SCHEMBL216428 0.80 ITGB3 (0.38) DRD3DRD2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL214532 0.79 ITGB3 (0.39) DRD3DRD2KMT2AMEN1MAPT
SCHEMBL215285 0.78 LTA4H (0.46) DRD3DRD2SMN1; SMN2HDAC1GAA

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 6 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (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 DRD3 4551/4885DRD2 3081/4885KMT2A 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.