SCHEMBL216183

SCHEMBL216183

O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)Nc1ccc(OCCCN2CCNCC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.42
DRD2 P14416 3/20 0.42
SIRT1 Q96EB6 1/20 0.41
LTA4H P09960 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 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
SCHEMBL2735429 1.00 DRD3 (0.42) DRD3DRD2SIRT1LTA4HNPC1
Hydrochloric Acid SCHEMBL215263 0.99 DRD3 (0.41) DRD3DRD2SIRT1LTA4HNPC1
SCHEMBL4412205 0.91 DRD3 (0.42) DRD3DRD2LTA4HNPC1RAB9A
SCHEMBL2735363 0.89 NPC1 (0.40) SIRT1LTA4HNPC1RAB9AMAPT
SCHEMBL2735447 0.89 PTGDR (0.45) DRD3DRD2NPC1RAB9AMAPT
SCHEMBL2735375 0.89 PTGDR (0.45) DRD3DRD2NPC1RAB9AMAPT
SCHEMBL214558 0.89 MEN1 (0.39) SIRT1NPC1RAB9AMAPTMEN1
SCHEMBL2735427 0.89 MEN1 (0.39) SIRT1NPC1RAB9AMAPTMEN1
SCHEMBL2735368 0.88 LTA4H (0.47) LTA4HNPC1RAB9AMEN1ALDH1A1
SCHEMBL214368 0.88 DRD3 (0.41) DRD3DRD2MAPTMEN1KMT2A

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 9 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-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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 3081/4885SIRT1 4299/4885

“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.