SCHEMBL215772

SCHEMBL215772

CCCCCN1CCN(c2ccc3[nH]c(NC(=O)c4c(C(N)=O)ncn4-c4cc(Br)ccc4C)nc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPK14 Q16539 10/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
XBP1 P17861 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
Acetic Acid SCHEMBL214839 0.98 AURKA (0.34) AURKAAURKBMAPK14DRD2DRD4
SCHEMBL214920 0.90 MAPK14 (0.42) MAPK14KCNH2
SCHEMBL214177 0.89 MAPK14 (0.37) MAPK14DRD2DRD3HTR2AHTR2C
SCHEMBL214523 0.89 MAPK14 (0.35) MAPK14KCNH2
SCHEMBL214889 0.88 JAK2 (0.39) MAPK14DRD4HTR2A
SCHEMBL215149 0.88 KIT (0.36) MAPK14DRD2DRD4DRD3KCNH2
SCHEMBL214506 0.87 MAPK14 (0.34) MAPK14KCNH2
SCHEMBL214519 0.87 TBK1 (0.38) MAPK14
Hydrochloric Acid SCHEMBL215304 0.87 MAPK14 (0.34) MAPK14KCNH2
SCHEMBL215315 0.84 ENPP2 (0.36) MAPK14

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 AURKA 659/4885AURKB 621/4885MAPK14 343/4885

“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.