SCHEMBL216640

SCHEMBL216640

Cc1nc(-c2nc(C(N)=O)c(C(N)=O)[nH]2)[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 13/20 0.36
PIN1 Q13526 2/20 0.36
SMPD3 Q9NY59 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PKM P14618 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
KAT2B Q92831 1/20 0.32
PDPK1 O15530 1/20 0.31

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
SCHEMBL17143116 0.74 PARP1 (0.40) KDM4ELMNAADORA3PKMADORA2A
SCHEMBL14723229 0.72 SMPD3 (0.45) PIN1SMPD3
SCHEMBL215767 0.71 SLC9A1 (0.59) SLC9A1PIN1
SCHEMBL23042886 0.71 PKM (0.35) SLC9A1KDM4ELMNAADORA3PKM
SCHEMBL214571 0.69 SLC9A1 (0.56) SLC9A1PIN1KDM4E
SCHEMBL30758008 0.67 GSK3B (0.37) KDM4E
SCHEMBL213392 0.65 METAP2 (0.46) KDM4ELMNAPKM
SCHEMBL29800254 0.63 ALDH1A1 (0.42) KDM4EPDPK1
SCHEMBL1079177 0.63 PARP1 (0.41) SLC9A1PIN1PDPK1
SCHEMBL3986305 0.63 ADORA2A (0.33) ADORA2APDPK1

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 SLC9A1 4515/4885PIN1 1046/4885SMPD3 2987/4885

“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.