SCHEMBL3189583

SCHEMBL3189583

NC1CCN(c2cccc3ccc(-n4cnc5cc(O)ccc54)nc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.63
LCK P06239 2/20 0.63
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
ULK1 O75385 1/20 0.63
STK10 O94804 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
LATS1 O95835 1/20 0.63
PAK4 O96013 1/20 0.63
NTRK1 P04629 1/20 0.63
CDK1 P06493 1/20 0.63
APRT P07741 1/20 0.63
RET P07949 1/20 0.63
PDGFRB P09619 1/20 0.63
PHKG2 P15735 1/20 0.63
NQO2 P16083 1/20 0.63
PDGFRA P16234 1/20 0.63
FECH P22830 1/20 0.63
CDK2 P24941 1/20 0.63

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
SCHEMBL5765860 0.92 LCK (0.60) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5765235 0.91 IRAK4 (0.53) IRAK4LCKGAKRIPK2ULK1
SCHEMBL27044755 0.88 IRAK4 (0.51) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5766585 0.86 GAK (0.60) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5765594 0.86 IRAK4 (0.61) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5765910 0.86 LCK (0.61) IRAK4LCKGAKRIPK2ULK1
SCHEMBL3836778 0.85 IRAK4 (0.73) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5765638 0.84 LCK (0.60) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5766588 0.84 IRAK4 (0.66) IRAK4LCKGAKRIPK2ULK1
SCHEMBL5763184 0.84 IRAK4 (0.71) IRAK4LCKGAKRIPK2ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US claimed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP claimed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-20100016353-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS HENNE KIRK RUSSELL 2010-01-21 US disclosed
US-20100016353-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS HENNE KIRK RUSSELL 2010-01-21 US disclosed
US-20100016353-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS HENNE KIRK RUSSELL 2010-01-21 US disclosed
EP-1594858-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2009-10-14 EP disclosed
EP-1799670-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2007-06-27 EP disclosed
US-7071337-B2 Benzoimidazole derivatives useful as antiproliferative agents PFIZER INC (US) 2006-07-04 US disclosed
WO-2006038111-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2006-04-13 WO disclosed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1594858-A2 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2005-11-16 EP disclosed
US-20050124599-A1 Novel benzoimidazole derivatives useful as antiproliferative agents PFIZER INC. 2005-06-09 US disclosed
WO-2004020431-A2 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2004-03-11 WO disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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 (2 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-20100016353-A1 BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS CCNI, MKI67, CCNT1 IRAK4 1170/4885LCK 3024/4885GAK 387/4885
US-20050124599-A1 Novel benzoimidazole derivatives useful as antiproliferative agents CCNI, CCNT1, CCNA1 IRAK4 590/4885LCK 2830/4885GAK 526/4885

“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.