Sugi Predict

Sugi Predict / Compounds / SCHEMBL6903071

SCHEMBL6903071

SCHEMBL6903071

S=c1nc(-c2ncc[nH]2)cc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 2/20 0.42
▸ MTOR P42345 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADRA2A P08913 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ CSNK1A1 P48729 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL6510183 0.77 PDE3B (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL197279 0.75 NISCH (0.54) NISCHMTORADKALDH1A1MEN1
SCHEMBL28581729 0.70 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL30216772 0.70 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL5491437 0.70 — —
SCHEMBL3240436 0.69 NISCH (0.47) NISCHMTORADKALDH1A1MEN1
SCHEMBL29079328 0.69 NISCH (0.47) NISCHMTORADKALDH1A1MEN1
SCHEMBL6786065 0.69 HSP90AA1 (0.48) NISCHMTORADKALDH1A1MEN1
SCHEMBL6907831 0.69 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL81650 0.68 NISCH (0.59) NISCHMTORADKALDH1A1MEN1

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-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 — — US disclosed
US-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2002-12-26 — — US disclosed
EP-1037639-A4 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORP (US) 2002-04-17 — — EP disclosed
US-6335340-B1 REACTING POLYMER BOUND 2-THIOPYRIMIDINE-4-YL IMINE WITH AN ISONITRILE; OXIDATION TO SULFONE OR SULFOXIDE TO RELEASE; AMINATION; ADMINISTERING AS CYTOKINE, INTERLEUKIN, AND TUMOR NECROSIS INHIBITORS SMITHKLINE BEECHAM CORPORATION 2002-01-01 — — US disclosed
EP-1037639-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 2000-09-27 — — EP disclosed
WO-1999032121-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1999-07-01 — — 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-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses IL2, IFNG, IL2RA NISCH 865/4885MTOR 714/4885ADK 1604/4885

“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.