SCHEMBL4505705

SCHEMBL4505705

CCCCNC(=O)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
TYK2 P29597 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
PDE5A O76074 4/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
DAPK3 O43293 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4498035 0.87 TYK2 (0.47) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4515628 0.86 TYK2 (0.50) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4524015 0.84 TYK2 (0.50) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4510380 0.83 TYK2 (0.53) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4510948 0.83 TYK2 (0.53) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4510202 0.83 TYK2 (0.58) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4501324 0.82 ALDH1A1 (0.47) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4505702 0.82 PDE9A (0.49) PDE5A
SCHEMBL4510912 0.81 TYK2 (0.53) PTGS2TYK2ALDH1A1TSHRPDE5A
SCHEMBL4510802 0.81 TYK2 (0.47) PTGS2TYK2ALDH1A1TSHRPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
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 PTGS2 164/4885TYK2 4707/4885ALDH1A1 1873/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PTGS2 160/4885TYK2 4749/4885ALDH1A1 1254/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PTGS2 138/4885TYK2 3816/4885ALDH1A1 240/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PTGS2 164/4885TYK2 4707/4885ALDH1A1 1873/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PTGS2 199/4885TYK2 4759/4885ALDH1A1 1336/4885

“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.