SCHEMBL214751

SCHEMBL214751

COCCOc1cccc2nc(NC(=O)c3ncn(-c4cc(Br)ccc4C)c3C(N)=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
SCN9A Q15858 1/20 0.32
SIK1 P57059 2/20 0.32
SIK2 Q9H0K1 2/20 0.32
SIK3 Q9Y2K2 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 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
SCHEMBL214572 0.88 BTK (0.42) BTKKMT2AMEN1MAPTKIT
SCHEMBL213660 0.85 TOP2A (0.35) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL214637 0.82 MAOB (0.49) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL215858 0.79 TOP2A (0.35) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4104868 0.79 RAB9A (0.37) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL216161 0.78 NEK2 (0.33) BTKRAB9ANPC1KMT2AMEN1
SCHEMBL2735386 0.76 ALDH1A1 (0.45) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL216216 0.76 MAP4K4 (0.39) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL214498 0.75 MAOB (0.36) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL215845 0.73 IRAK4 (0.39) RAB9ANPC1KMT2AMEN1KDM4E

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 8 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 BTK 14/4885RAB9A 2213/4885NPC1 3307/4885

“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.