SCHEMBL2995191

SCHEMBL2995191

Oc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.75
TNNI3K Q59H18 1/20 0.64
XDH P47989 1/20 0.52

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
SCHEMBL3001570 0.87 BRAF (0.77) BRAFTNNI3KXDH
SCHEMBL2995235 0.85 BRAF (0.73) BRAFTNNI3KXDH
SCHEMBL2996504 0.84 XDH (0.57) BRAFTNNI3KXDH
SCHEMBL3001381 0.84 TNNI3K (0.61) BRAFTNNI3KXDH
SCHEMBL5839047 0.81 BRAF (0.75) BRAFTNNI3K
SCHEMBL5839456 0.81 TNNI3K (0.60) BRAFTNNI3KXDH
SCHEMBL3004037 0.81 NPC1 (0.69) BRAFTNNI3K
SCHEMBL7788943 0.81 TNNI3K (0.62) BRAFTNNI3K
SCHEMBL2995190 0.81 BRAF (0.52) BRAFTNNI3K
SCHEMBL658170 0.80 CYP3A4 (0.52) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173173-B1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2013-07-24 EP disclosed
US-8222260-B2 Substituted 6-anilinopurine derivatives as inhibitors of cytokinin oxidase/dehydrogenase and preparations containing these derivatives Univerzita Palackego V Olomouci (CZ) 2012-07-17 US disclosed
US-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2010-07-29 US disclosed
EP-2173173-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-04-14 EP disclosed
WO-2009003428-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-01-08 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-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES DPYD, XDH, APRT BRAF 2919/4885TNNI3K 2026/4885XDH 2/4885

“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.