Sugi Predict

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SCHEMBL214273

SCHEMBL214273

CC(C)(C)c1ccccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.38
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PAX8 Q06710 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 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
SCHEMBL216886 0.90 POLB (0.36) POLBHPGDHTTLMNACYP1A2
SCHEMBL214715 0.87 POLB (0.40) POLBHPGDHTTLMNACYP1A2
SCHEMBL213330 0.86 POLB (0.37) POLBHPGDHTTLMNACYP1A2
SCHEMBL215369 0.85 POLB (0.41) POLBHPGDHTTLMNACYP1A2
SCHEMBL214873 0.85 LMNA (0.39) POLBHPGDHTTLMNACYP1A2
SCHEMBL214647 0.85 POLB (0.38) POLBHPGDHTTLMNACYP1A2
SCHEMBL215596 0.85 POLB (0.38) POLBHPGDHTTLMNACYP1A2
SCHEMBL216075 0.85 POLB (0.38) POLBHPGDHTTLMNACYP1A2
SCHEMBL213504 0.85 POLB (0.38) POLBHPGDHTTLMNACYP1A2
SCHEMBL215645 0.84 POLB (0.37) POLBHPGDHTTLMNACYP1A2

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 3464/4885HPGD 3138/4885HTT 1059/4885

“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.