Sugi Predict

Sugi Predict / Compounds / SCHEMBL4512423

SCHEMBL4512423

SCHEMBL4512423

N#CN/C(=N\CC1CCCCC1)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ PDE5A O76074 3/20 0.40
▸ PDE9A O76083 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4516246 1.00 TYK2 (0.45) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4511039 0.82 TYK2 (0.44) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4520697 0.82 TYK2 (0.44) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4524015 0.79 TYK2 (0.50) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4511767 0.77 ALDH1A1 (0.51) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4498996 0.76 TYK2 (0.53) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4510202 0.76 TYK2 (0.58) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4500032 0.76 TYK2 (0.44) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4510912 0.75 TYK2 (0.53) TYK2ALDH1A1HPGDHTTPDE5A
SCHEMBL4510948 0.73 TYK2 (0.53) TYK2ALDH1A1HPGDHTTPDE5A

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-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 — — US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 — — 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885HPGD 137/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885ALDH1A1 1254/4885HPGD 123/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885ALDH1A1 240/4885HPGD 132/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885HPGD 137/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885ALDH1A1 1336/4885HPGD 151/4885

“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.