Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570223

SCHEMBL4570223

SCHEMBL4570223

COC(=O)Nc1cnc(N2CCC[C@]3(CCN([C@H]4CC[C@@H](O)CC4)C3=O)C2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ PLK1 P53350 2/20 0.33
▸ TTK P33981 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ AADAT Q8N5Z0 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MALT1 Q9UDY8 2/20 0.32
▸ F9 P00740 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ SCN10A Q9Y5Y9 2/20 0.32

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
SCHEMBL4570187 1.00 MAPT (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL17082149 1.00 MAPT (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL17082154 1.00 MAPT (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL3692653 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL3692645 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL2701142 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL2700827 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL2700832 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL3707020 0.93 JAK2 (0.33) MAPTPLK1TTKOPRK1AADAT
SCHEMBL4570222 0.93 ALDH1A1 (0.35) MAPTOPRK1PDE5AALDH1A1HCRTR1

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-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885PLK1 3606/4885TTK 4273/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885PLK1 3606/4885TTK 4273/4885

“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.