SCHEMBL4524933

SCHEMBL4524933

CC(C)OCCCNc1c(N)cnc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GBA1 P04062 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 5/20 0.36
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 4/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
NR2F2 P24468 1/20 0.35

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
SCHEMBL202429 0.82 MAPK1 (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2368975 0.82 ALDH1A1 (0.39) ALDH1A1GBA1LMNAKDM4EGAA
SCHEMBL5618144 0.82 SYK (0.39) CYP1A2CYP3A4CYP2D6GAAMAPK1
SCHEMBL3861875 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6MAPK1SYK
SCHEMBL3169059 0.81 POLB (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL26863043 0.80 CYP1A2 (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3862465 0.79 GAA (0.40) LMNACYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL19475071 0.79 TOP2A (0.41) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6219586 0.78 MAPK1 (0.40) CYP1A2CYP3A4CYP2D6KDM4EGAA
SCHEMBL21949825 0.78 EGFR (0.39) CYP1A2CYP3A4CYP2D6GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
EP-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2005123080-A2 NITROGEN-CONTAINING HETEROCYCLYL SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 WO 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-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 ALDH1A1 2879/4885GBA1 3089/4885LMNA 3850/4885
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG ALDH1A1 2431/4885GBA1 1572/4885LMNA 4221/4885

“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.