SCHEMBL4755797

SCHEMBL4755797

CCCc1nc2cnc3ccccc3c2n1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR7 Q9NYK1 4/20 0.44
PDE10A Q9Y233 1/20 0.43
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7570122 0.92 ATM (0.56) SMN1; SMN2ATMLMNATSHRTLR7
Hydrochloric Acid SCHEMBL4753921 0.91 ATM (0.55) SMN1; SMN2ATMLMNATSHRTLR7
SCHEMBL2709388 0.83 KDM4E (0.43) SMN1; SMN2LMNATSHRKDM4EHSP90AB1
SCHEMBL4756005 0.82 TLR7 (0.46) SMN1; SMN2ATMLMNATSHRTLR7
SCHEMBL4755162 0.81 ATM (0.34) SMN1; SMN2ATMLMNATSHRKDM4E
SCHEMBL2708176 0.81 MEN1 (0.43) SMN1; SMN2LMNAKDM4EHSP90AB1MAPK1
SCHEMBL2709438 0.80 KDM4E (0.40) SMN1; SMN2LMNAKDM4EHSP90AB1MAPK1
SCHEMBL10123169 0.79 TLR7 (0.50) SMN1; SMN2ATMLMNATSHRKDM4E
SCHEMBL3968315 0.78 TLR7 (0.59) SMN1; SMN2LMNAKDM4EHSP90AB1MAPK1
SCHEMBL2707597 0.78 HPGD (0.45) SMN1; SMN2LMNAKDM4EHSP90AB1MAPK1

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 SMN1; SMN2 2646/4885ATM 3198/4885LMNA 3863/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 SMN1; SMN2 2646/4885ATM 3198/4885LMNA 3863/4885

“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.