SCHEMBL214637

SCHEMBL214637

COc1cccc2[nH]c(NC(=O)c3ncn(-c4cc(Br)ccc4C)c3C(N)=O)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
HPSE Q9Y251 1/20 0.36
MAPT P10636 4/20 0.36
USP2 O75604 1/20 0.36
PARP1 P09874 4/20 0.36
CDK12 Q9NYV4 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SIK1 P57059 2/20 0.35
SIK2 Q9H0K1 2/20 0.35
SIK3 Q9Y2K2 2/20 0.35

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
SCHEMBL216216 0.83 MAP4K4 (0.39) MAOBADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL214609 0.83 MAOB (0.46) MAOBADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL214498 0.83 MAOB (0.36) MAOBADORA2ARAB9ANPC1MAPT
SCHEMBL214751 0.82 BTK (0.38) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL4104868 0.82 RAB9A (0.37) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL213660 0.79 TOP2A (0.35) RAB9ANPC1MAPTPARP1CDK12
SCHEMBL215845 0.76 IRAK4 (0.39) RAB9ANPC1TP53PKMMAPT
SCHEMBL214572 0.75 BTK (0.42) MAPTMEN1KMT2APOLBRXFP1
SCHEMBL214015 0.75 MAOB (0.53) MAOBADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL214517 0.75 RAB9A (0.37) RAB9ANPC1SMN1; SMN2TP53PKM

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 MAOB 3387/4885ADORA2A 1356/4885RAB9A 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.