SCHEMBL4213079

SCHEMBL4213079

CCn1cc(-c2ccnc3[nH]cc(Cl)c23)c(-c2cccc(N)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.55
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ AURKB Q96GD4 5/20 0.41
▸ AURKA O14965 4/20 0.41
▸ INCENP Q9NQS7 3/20 0.41
▸ LYN P07948 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MET P08581 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ PLK4 O00444 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ RET P07949 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL4209369 0.88 BRAF (0.69) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL13969814 0.88 BRAF (0.57) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL13948745 0.82 BRAF (0.81) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL4221026 0.82 BRAF (0.57) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL4218373 0.81 BRAF (0.68) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL13969679 0.78 BRAF (0.55) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL13969709 0.75 BRAF (0.70) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL4215711 0.73 BRAF (0.67) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL13969680 0.73 BRAF (0.51) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL2243277 0.72 EGFR (0.58) AURKBROCK1PLK4ROCK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046931-B1 CELL-PENETRATING BACTERIAL E3-UBIQITIN-LIGASES FOR USE IN IMMUNOTHERAPY UNIV MUENSTER WESTFAELISCHE WILHELMS (DE) 2021-05-12 — — EP disclosed
EP-3046931-A1 CELL-PENETRATING BACTERIAL E3-UBIQITIN-LIGASES FOR USE IN IMMUNOTHERAPY Westfälische Wilhelms-Universität Münster (DE) 2016-07-27 — — EP disclosed
WO-2015040215-A1 CELL-PENETRATING BACTERIAL E3-UBIQITIN-LIGASES FOR USE IN IMMUNOTHERAPY WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-03-26 — — WO disclosed
EP-2664339-A2 YopM as delivery vehicle for cargo molecules and as biological therapeutic for immunomodulation of inflammatory reactions Universitätsklinikum Münster (DE) 2013-11-20 — — EP disclosed
WO-2009115531-A2 YOPM AS DELIVERY VEHICLE FOR CARGO MOLECULES AND AS BIOLOGICAL THERAPEUTIC FOR IMMUNOMODULATION OF INFLAMMATORY REACTIONS Universitätsklinikum Münster (DE) 2009-09-24 — — WO disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 — — US disclosed
WO-2007090141-A2 PYRROLO [2, 3, B] PYRIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-09 — — 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-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors BRAF, RAF1, ARAF BRAF 1/4885CYP2D6 2776/4885CYP2C9 2974/4885

“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.

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