SCHEMBL3872563

SCHEMBL3872563

COCCc1nc2cnc3ccc(Br)cc3c2n1CCCN1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ CASK O14936 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TYRO3 Q06418 4/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL3862390 0.93 ALDH1A1 (0.41) ALDH1A1CASKHDAC1HDAC8KMT2A
SCHEMBL3862522 0.85 TLR7 (0.43) —
SCHEMBL4535714 0.83 TYRO3 (0.39) ALDH1A1HDAC1HDAC8KMT2AMEN1
SCHEMBL4520877 0.83 TYRO3 (0.38) ALDH1A1HDAC1HDAC8KMT2AMEN1
SCHEMBL3870501 0.82 RCE1 (0.43) ALDH1A1HDAC1HDAC8KMT2AMEN1
SCHEMBL4533344 0.82 HDAC1 (0.42) ALDH1A1HDAC1HDAC8KMT2AMEN1
SCHEMBL4535702 0.82 HDAC1 (0.46) ALDH1A1HDAC1HDAC8HPGDHSD17B10
SCHEMBL4535700 0.82 HDAC1 (0.46) ALDH1A1HDAC1HDAC8HPGDHSD17B10
SCHEMBL4533347 0.82 HDAC1 (0.42) ALDH1A1HDAC1HDAC8KMT2AMEN1
SCHEMBL4533687 0.81 TYRO3 (0.38) ALDH1A1HDAC1HDAC8KMT2AMEN1

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 10 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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 — — 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
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 — — WO disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 — — US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 — — US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 — — EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 — — US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 — — 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 (3 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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG ALDH1A1 2431/4885CASK 1504/4885HDAC1 562/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 ALDH1A1 730/4885CASK 2462/4885HDAC1 427/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 ALDH1A1 730/4885CASK 2462/4885HDAC1 427/4885

“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.

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