SCHEMBL214368

SCHEMBL214368

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(NC(=O)c3nc[nH]c3C(=O)Nc3nc4ccccc4[nH]3)c(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.41
DRD2 P14416 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.39
TBK1 Q9UHD2 2/20 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
SCHEMBL13320334 0.93 MEN1 (0.41) DRD3DRD2MEN1KMT2AATM
SCHEMBL214760 0.91 MEN1 (0.41) DRD3DRD2MEN1KMT2AATM
SCHEMBL4412205 0.91 DRD3 (0.42) DRD3DRD2MAPT
SCHEMBL214619 0.90 ATM (0.41) MEN1KMT2AATMEPHX2MAPT
SCHEMBL2735428 0.90 ATM (0.41) MEN1KMT2AATMEPHX2MAPT
SCHEMBL2735429 0.88 DRD3 (0.42) DRD3DRD2MEN1KMT2AMAPT
SCHEMBL216183 0.88 DRD3 (0.42) DRD3DRD2MEN1KMT2AMAPT
SCHEMBL213876 0.88 EPHX2 (0.42) MEN1KMT2AATMPDE3BPDE3A
SCHEMBL214565 0.87 ALPL (0.45) MEN1KMT2AATMMAPT
Hydrochloric Acid SCHEMBL215263 0.87 DRD3 (0.41) DRD3DRD2MEN1KMT2AMAPT

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 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
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 3081/4885MEN1 3504/4885

“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.