SCHEMBL2735393

SCHEMBL2735393

Cc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 15/20 0.54
CDK2 P24941 15/20 0.54
CCNA1 P78396 15/20 0.54
GAA P10253 1/20 0.44
IGF1R P08069 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3331829 0.87 CCNA2 (0.42) CCNA2CDK2CCNA1GAAIGF1R
SCHEMBL214661 0.79 GAA (0.49) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL214000 0.78 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL14222316 0.78 GAA (0.54) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL215229 0.77 MAPT (0.63) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL213976 0.77 MAPT (0.71) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL215825 0.77 MAPT (0.57) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL215408 0.77 GAA (0.49) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL214865 0.76 GAA (0.47) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL213885 0.76 GAA (0.48) GAAKDM4EALDH1A1MAPTKMT2A

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 6 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-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
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 CCNA2 776/4885CDK2 67/4885CCNA1 2630/4885

“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.