SCHEMBL2995233

SCHEMBL2995233

Fc1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.51
GRM4 Q14833 1/20 0.45
KDR P35968 1/20 0.43
TNNI3K Q59H18 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
EGFR P00533 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
FADS1 O60427 1/20 0.42
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
JAK2 O60674 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL3001568 0.86 BRAF (0.53) BRAFGRM4TNNI3KEGFRFADS1
SCHEMBL21473892 0.85 BRAF (0.46) BRAFTNNI3K
SCHEMBL16146646 0.84 BRAF (0.51) BRAFGRM4MAPK1HTTMKNK1
SCHEMBL2995190 0.84 BRAF (0.52) BRAFTNNI3KHTTEGFRABL1
SCHEMBL16146207 0.84 BRAF (0.67) BRAFGRM4KDRTNNI3KMAPK1
SCHEMBL16146124 0.84 BRAF (0.51) BRAFGRM4KDRMAPK1HTT
SCHEMBL5839044 0.84 BRAF (0.54) BRAFGRM4
SCHEMBL5840442 0.83 MKNK1 (0.47) BRAFGRM4MKNK1EGFR
SCHEMBL3001378 0.83 NFKB1 (0.46) MAPK1EGFR
SCHEMBL24862147 0.81 BRAF (0.40) BRAFKDRTNNI3KHTTEGFR

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 11 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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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 2919/4885GRM4 4382/4885KDR 4678/4885

“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.