SCHEMBL214015

SCHEMBL214015

COc1cccc2[nH]c(NC(=O)c3c(C(N)=O)ncn3-c3c(Cl)cccc3Cl)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
ADORA2A P29274 2/20 0.53
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
SCN9A Q15858 1/20 0.40
HPSE Q9Y251 2/20 0.39
POLB P06746 1/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 1/20 0.38
PARP1 P09874 6/20 0.37
USP2 O75604 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL214720 0.80 HCAR1 (0.35) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL214609 0.76 MAOB (0.46) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL214637 0.75 MAOB (0.49) MAOBADORA2ANPC1RAB9APKM
SCHEMBL213579 0.75 LMNA (0.43) SMN1; SMN2KDR
SCHEMBL216012 0.75 KDM4E (0.36) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL214391 0.74 RPS6KA2 (0.45) NPC1RAB9APOLBSMN1; SMN2KDR
SCHEMBL214529 0.74 HRH3 (0.42) KDR
SCHEMBL215459 0.72 CHEK2 (0.46) POLBSMN1; SMN2PARP1DHODHKDR
SCHEMBL214016 0.72 MAOB (0.57) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL214859 0.72 CHEK2 (0.47) POLBPARP1DHODHKDR

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 7 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
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 1356/4885ADORA2B 1764/4885

“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.