SCHEMBL5415212

SCHEMBL5415212

Cc1nc2c(N)nc3c(C(C)C)cccc3c2n1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TLR7 Q9NYK1 6/20 0.39
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
GLA P06280 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PDE4D Q08499 2/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL4758005 0.81 TLR7 (0.45) LMNATLR7GAATLR8
SCHEMBL5415207 0.80 TLR7 (0.40) LMNATLR7KDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL4145666 0.73 TLR8 (0.39) TLR7KDM4ETLR8
SCHEMBL27333703 0.66 GABRA1 (0.43) LMNACYP1A2CYP3A4CYP2D6HPGD
SCHEMBL4755938 0.66 TLR7 (0.51) LMNATLR7PDE4DTLR8POLB
SCHEMBL1896699 0.65 CASR (0.37) LMNATLR7KDM4EALDH1A1TP53
SCHEMBL14594186 0.63 TLR7 (0.55) LMNATLR7MAPTPDE4DGAA
SCHEMBL19171038 0.63 PI4KA (0.44) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL14301806 0.63 CASR (0.47) LMNAKDM4EALDH1A1CYP1A2GLA
SCHEMBL841902 0.62 TLR7 (0.43) LMNATLR7KDM4EALDH1A1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US 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 LMNA 3863/4885TLR7 146/4885KDM4E 2772/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 LMNA 3863/4885TLR7 146/4885KDM4E 2772/4885

“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.