SCHEMBL215845

SCHEMBL215845

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.39
HDAC11 Q96DB2 1/20 0.37
RAB9A P51151 5/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL214517 0.91 RAB9A (0.37) IRAK4RAB9ALMNAKDM4EMAPT
SCHEMBL215374 0.90 ABL1 (0.37) IRAK4HDAC11RAB9ALMNAKDM4E
SCHEMBL214926 0.87 RAB9A (0.37) RAB9ALMNAKDM4EMAPTNPC1
SCHEMBL4104868 0.85 RAB9A (0.37) IRAK4RAB9ALMNAKDM4EMAPT
SCHEMBL213884 0.84 HCAR1 (0.33) RAB9ALMNAKDM4EMAPTNPC1
SCHEMBL216764 0.82 KCNH2 (0.40) RAB9ALMNAKDM4EMAPT
SCHEMBL214506 0.82 MAPK14 (0.34) RAB9ALMNAKDM4EMAPTNPC1
SCHEMBL214920 0.82 MAPK14 (0.42)
Hydrochloric Acid SCHEMBL215304 0.82 MAPK14 (0.34) RAB9ALMNAKDM4EMAPTNPC1
SCHEMBL214609 0.81 MAOB (0.46) RAB9ALMNAKDM4EMAPTNPC1

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 4 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-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 IRAK4 98/4885HDAC11 2428/4885RAB9A 2213/4885

“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.