SCHEMBL216216

SCHEMBL216216

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2c(OCCN(C)C)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
AURKB Q96GD4 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
STK17A Q9UEE5 2/20 0.39
MAP4K5 Q9Y4K4 2/20 0.39
DYRK3 O43781 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PKN2 Q16513 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
PARP1 P09874 2/20 0.34
CDK12 Q9NYV4 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
NR1I2 O75469 1/20 0.32

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
SCHEMBL214498 0.96 MAOB (0.36) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL215714 0.85 LMNA (0.42) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL214609 0.84 MAOB (0.46) MAOBADORA2APARP1CDK12PARP2
SCHEMBL214637 0.83 MAOB (0.49) MAOBADORA2APARP1CDK12PARP2
SCHEMBL214940 0.78 HDAC6 (0.38) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL214517 0.77 RAB9A (0.37) RAB9ALMNANPC1KDM4EMEN1
SCHEMBL213884 0.77 HCAR1 (0.33) RAB9ALMNANPC1KDM4EMEN1
SCHEMBL216217 0.76 ALDH1A1 (0.42) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL215845 0.76 IRAK4 (0.39) RAB9ALMNANPC1KDM4EMEN1
SCHEMBL215374 0.76 ABL1 (0.37) RAB9ALMNANPC1KDM4EMEN1

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 MAP4K4 267/4885PIM1 161/4885PIM3 189/4885

“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.