SCHEMBL4756090

SCHEMBL4756090

CCCc1nc2cnc3ccccc3c2n1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HSP90AB1 P08238 2/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 2/20 0.40
JAK2 O60674 1/20 0.40
POLB P06746 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
SCHEMBL5405185 0.93 XBP1 (0.48) KDM4EALDH1A1SMN1; SMN2XBP1HTT
SCHEMBL4754553 0.85 HSD17B10 (0.47) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5415670 0.85 PPARG (0.39) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL4754583 0.83 KMT2A (0.49) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL4754580 0.81 TLR7 (0.39) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL5617331 0.81 APEX1 (0.49) KDM4EALDH1A1SMN1; SMN2RXFP1HDAC6
SCHEMBL1950119 0.80 GAA (0.47) SMN1; SMN2HTTRAB9AHDAC6LMNA
SCHEMBL2709388 0.79 KDM4E (0.43) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL5670886 0.79 KDM4E (0.40) NPSR1KDM4EMEN1KMT2AUSP2
SCHEMBL5669214 0.79 HDAC6 (0.47) KDM4EALDH1A1SMN1; SMN2HTTRXFP1

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 7 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
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US 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 (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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NPSR1 3391/4885KDM4E 2772/4885MEN1 2757/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NPSR1 3391/4885KDM4E 2772/4885MEN1 2757/4885

“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.