SCHEMBL214094

SCHEMBL214094

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.40
DRD2 P14416 8/20 0.40
HRH3 Q9Y5N1 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHEK2 O96017 1/20 0.36
SLC2A1 P11166 1/20 0.36
LTA4H P09960 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
SCHEMBL213324 0.86 LTA4H (0.46) DRD3DRD2CHEK2LTA4H
SCHEMBL216429 0.81 MEN1 (0.36) DRD3DRD2MEN1MAPTKMT2A
SCHEMBL214317 0.81 LTA4H (0.41) DRD3DRD2HRH3LTA4H
Hydrochloric Acid SCHEMBL214533 0.81 MEN1 (0.36) DRD3DRD2MEN1MAPTKMT2A
SCHEMBL216124 0.79 PTGDR (0.40) GAAMEN1LMNAMAPTKMT2A
SCHEMBL215077 0.78 CHEK2 (0.46) DRD3DRD2HRH3SMN1; SMN2CHEK2
SCHEMBL215286 0.78 LTA4H (0.46) DRD3DRD2MEN1KMT2ASMN1; SMN2
SCHEMBL2735375 0.77 PTGDR (0.45) DRD3DRD2HRH3GAAMEN1
SCHEMBL2735447 0.77 PTGDR (0.45) DRD3DRD2HRH3GAAMEN1
SCHEMBL214647 0.75 POLB (0.38) LMNAMAPTCHEK2

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 3081/4885HRH3 1553/4885

“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.