SCHEMBL17335985

SCHEMBL17335985

CC(C)(C)C1CCC(n2c(=O)[nH]c3ccc(-c4cccnc4)cc3c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.52
▸ ATR Q13535 2/20 0.52
▸ DYRK1A Q13627 12/20 0.42
▸ WNT1 P04628 7/20 0.42
▸ PARG Q86W56 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ CALCRL Q16602 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38

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
SCHEMBL17335991 0.88 METAP2 (0.46) ATMATRPARGJAK2JAK3
SCHEMBL17335895 0.77 PARG (0.48) PARG
SCHEMBL17347731 0.77 CA12 (0.49) PARG
SCHEMBL17347732 0.77 CA12 (0.49) PARG
SCHEMBL17347730 0.77 CA12 (0.49) PARG
SCHEMBL16455915 0.72 TNKS (0.54) KCNH2JAK2JAK3
SCHEMBL17335948 0.72 ERCC1 (0.58) PARGCHEK1
SCHEMBL18792868 0.72 ERCC1 (0.58) PARGCHEK1
SCHEMBL17335947 0.72 ERCC1 (0.58) PARGCHEK1
SCHEMBL17347884 0.72 ERCC1 (0.58) PARGCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — US disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — WO disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 — — 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 ATM 4431/4885ATR 930/4885DYRK1A 1905/4885

“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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