SCHEMBL15601779

SCHEMBL15601779

Cc1c(C(N)=O)n[nH]c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HCAR2 Q8TDS4 4/20 0.34
HCAR3 P49019 1/20 0.34
CDC7 O00311 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CSNK2A2 P19784 1/20 0.30
KDR P35968 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22637676 0.82 HCAR2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2905224 0.81 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15592681 0.77 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL599727 0.75 HCAR2 (0.45) HCAR2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL2911881 0.74 KDM4E (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30863956 0.74 HCAR2 (0.44) HCAR2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL15555717 0.74 HCAR2 (0.37) HCAR2CDK2CSNK2A2KDRCSNK2B
Valine SCHEMBL2912847 0.71 SLC7A5 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28251799 0.69 HCAR2 (0.70) HCAR2
SCHEMBL6689443 0.69 KDM4C (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US 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 (2 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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK PRKAB2 208/4885PRKAG1 123/4885PRKAA2 473/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK PRKAB2 208/4885PRKAG1 123/4885PRKAA2 473/4885

“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.