SCHEMBL4513622

SCHEMBL4513622

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.48
LIPE Q05469 3/20 0.45
TYK2 P29597 1/20 0.44
EPHX2 P34913 4/20 0.44
PTGS2 P35354 1/20 0.43
SCN9A Q15858 1/20 0.42
PDE5A O76074 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
P2RY1 P47900 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL4514570 0.89 PDE9A (0.61) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4515391 0.89 TYK2 (0.46) PDE9ATYK2PTGS2PDE5ATRPV1
SCHEMBL4510948 0.89 TYK2 (0.53) PDE9ATYK2PTGS2PDE5AMEN1
SCHEMBL4502029 0.88 POLB (0.49) PDE9ATYK2PTGS2PDE5AMEN1
SCHEMBL4513616 0.84 PDE9A (0.51) PDE9AEPHX2PDE5A
SCHEMBL4505445 0.84 TYK2 (0.46) PDE9ATYK2PTGS2PDE5AMEN1
SCHEMBL4511659 0.84 PDE9A (0.50) PDE9ATYK2PTGS2PDE5ATRPV1
SCHEMBL4512344 0.84 TYK2 (0.48) PDE9ATYK2PTGS2PDE5AMEN1
SCHEMBL4515587 0.84 TYK2 (0.46) PDE9ATYK2PTGS2PDE5AMEN1
SCHEMBL4513101 0.83 MAPK1 (0.51) PDE9ATYK2PDE5AMEN1KMT2A

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 8 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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (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 PDE9A 40/4885LIPE 2334/4885TYK2 4707/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE9A 29/4885LIPE 2071/4885TYK2 4749/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885LIPE 2059/4885TYK2 3816/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885LIPE 2334/4885TYK2 4707/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE9A 34/4885LIPE 2038/4885TYK2 4759/4885

“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.