SCHEMBL4758727

SCHEMBL4758727

CCCc1nc2cnc3cc(Br)ccc3c2n1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
RAF1 P04049 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
AURKB Q96GD4 1/20 0.38
TLR7 Q9NYK1 2/20 0.35
CTSL P07711 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CTSB P07858 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
PPARG P37231 1/20 0.34
SREBF2 Q12772 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5415670 0.85 PPARG (0.39) EGFRPPARGSMN1; SMN2TSHRHTT
SCHEMBL4754020 0.81 TLR7 (0.49) TLR7NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4758728 0.80 SMN1; SMN2 (0.35) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL4757946 0.79 HTT (0.37) EGFRJAK1PPARGHTTNPSR1
SCHEMBL4757052 0.78 HTT (0.33) EGFRJAK1PPARGSMN1; SMN2HTT
SCHEMBL22336631 0.77 TLR7 (0.40) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL1233687 0.77 DYRK1A (0.40) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL1233021 0.76 DYRK1A (0.45) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL3862246 0.76 FPR2 (0.40) SMN1; SMN2NPSR1
SCHEMBL3863839 0.76 TLR7 (0.46) TLR7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 EGFR 4414/4885RAF1 2159/4885KDR 3882/4885

“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.