SCHEMBL214520

SCHEMBL214520

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(N3CCN(Cc4ccncc4)CC3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.40
TBK1 Q9UHD2 1/20 0.37
PARP1 P09874 3/20 0.36
GAA P10253 1/20 0.36
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CCNA1 P78396 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BACE1 P56817 2/20 0.35
SLC2A1 P11166 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL214890 0.94 KMT2A (0.42) CCR5GAAKDM4EMEN1ALDH1A1
SCHEMBL14222407 0.92 PARP1 (0.36) CCR5TBK1PARP1GAAKDM4E
SCHEMBL214524 0.88 GAA (0.37) CCR5GAAKDM4EMEN1ALDH1A1
SCHEMBL214921 0.88 KCNH2 (0.42) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL214178 0.87 MAPT (0.41) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL215773 0.87 GAA (0.36) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL3988304 0.86 KDM4E (0.41) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL214507 0.86 GAA (0.38) GAAKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL215305 0.86 GAA (0.38) GAAKDM4EMEN1ALDH1A1MAPT
Acetic Acid SCHEMBL214840 0.85 GAA (0.35) GAAKDM4EMEN1ALDH1A1MAPT

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-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
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 CCR5 553/4885TBK1 172/4885PARP1 3502/4885

“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.