SCHEMBL4535702

SCHEMBL4535702

COCCc1nc2cnc3ccc(C=CC(=O)N(C)C)cc3c2n1CCCN1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ TYRO3 Q06418 6/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ MET P08581 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ PIM2 Q9P1W9 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
SCHEMBL4535700 1.00 HDAC1 (0.46) HDAC1HDAC8ALDH1A1SIRT2SIRT1
SCHEMBL4533347 0.84 HDAC1 (0.42) HDAC1HDAC8ALDH1A1RCE1TYRO3
SCHEMBL4533344 0.84 HDAC1 (0.42) HDAC1HDAC8ALDH1A1RCE1TYRO3
SCHEMBL4535714 0.84 TYRO3 (0.39) HDAC1HDAC8ALDH1A1SIRT2SIRT1
SCHEMBL3872563 0.82 ALDH1A1 (0.39) HDAC1HDAC8ALDH1A1RCE1TYRO3
SCHEMBL3862390 0.78 ALDH1A1 (0.41) HDAC1HDAC8ALDH1A1RCE1TYRO3
SCHEMBL4533687 0.77 TYRO3 (0.38) HDAC1HDAC8ALDH1A1TYRO3IKBKB
SCHEMBL4520877 0.77 TYRO3 (0.38) HDAC1HDAC8ALDH1A1RCE1TYRO3
SCHEMBL3870501 0.76 RCE1 (0.43) HDAC1HDAC8ALDH1A1SIRT2SIRT1
SCHEMBL4520867 0.71 TLR7 (0.48) —

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 4 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
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 — — 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 (1 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 HDAC1 562/4885HDAC8 270/4885ALDH1A1 2431/4885

“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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