SCHEMBL4038747

SCHEMBL4038747

Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1-c1nc2c(OCCc3ccccc3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
MAP4K3 Q8IVH8 10/20 0.50
AXL P30530 1/20 0.46
MERTK Q12866 1/20 0.46
NTRK1 P04629 1/20 0.45
FGFR1 P11362 5/20 0.45
FGFR2 P21802 5/20 0.45
FGFR3 P22607 5/20 0.45
ATR Q13535 2/20 0.45

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
SCHEMBL4038434 0.88 EGFR (0.57) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4035619 0.88 EGFR (0.55) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4044869 0.86 MAP4K3 (0.56) EGFRMAP4K3AXLMERTKFGFR1
SCHEMBL4052605 0.86 EGFR (0.55) EGFRMAP4K3NTRK1FGFR1FGFR2
SCHEMBL4052067 0.85 EGFR (0.55) EGFRMAP4K3AXLMERTKFGFR1
SCHEMBL4045036 0.84 EGFR (0.57) EGFRMAP4K3NTRK1FGFR1FGFR2
SCHEMBL4045866 0.83 EGFR (0.50) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL4048973 0.83 EGFR (0.50) EGFRMAP4K3AXLMERTKFGFR1
SCHEMBL4036451 0.82 EGFR (0.62) EGFRMAP4K3FGFR1FGFR2FGFR3
SCHEMBL3952099 0.82 EGFR (0.59) EGFRMAP4K3FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US 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 (5 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 EGFR 4138/4885MAP4K3 2598/4885AXL 4837/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 EGFR 1966/4885MAP4K3 906/4885AXL 3412/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 EGFR 4161/4885MAP4K3 2604/4885AXL 4841/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES EGFR 3743/4885MAP4K3 2096/4885AXL 4671/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 EGFR 883/4885MAP4K3 656/4885AXL 3999/4885

“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.