Sugi Predict

Sugi Predict / Compounds / SCHEMBL216733

SCHEMBL216733

SCHEMBL216733

Cc1ccncc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAP2 P11137 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ FGFR1 P11362 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ GAA P10253 2/20 0.32

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
SCHEMBL214715 0.89 POLB (0.40) POLBHPGDHTTFGFR1FLT1
SCHEMBL216492 0.86 POLB (0.37) POLBHPGDHTTKDM4EL3MBTL1
SCHEMBL215596 0.85 POLB (0.38) POLBHPGDHTTLMNACYP1A2
SCHEMBL213504 0.85 POLB (0.38) POLBHPGDHTTFGFR1FLT1
SCHEMBL214939 0.84 POLB (0.36) POLBHPGDMAP2KDM4ETDP1
SCHEMBL215894 0.84 POLB (0.36) POLBHPGDHTTKDM4ELMNA
SCHEMBL214338 0.84 POLB (0.36) POLBHPGDMAP2HTTKDM4E
SCHEMBL217227 0.84 POLB (0.37) POLBHPGDHTTKDM4EL3MBTL1
SCHEMBL214140 0.83 POLB (0.48) POLBKDM4ELMNAALDH1A1KMT2A
SCHEMBL216070 0.82 POLB (0.47) POLBHPGDHTTKDM4EL3MBTL1

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 POLB 3464/4885CCNC 1082/4885CDK8 672/4885

“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.