SCHEMBL4514570

SCHEMBL4514570

COc1ccc(NC(=O)N2CC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 9/20 0.61
SMN1; SMN2 Q16637 2/20 0.49
TYK2 P29597 1/20 0.48
GRIN2B Q13224 1/20 0.48
PDE5A O76074 6/20 0.47
PDE1B Q01064 5/20 0.47
PDE4D Q08499 5/20 0.47
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE7A Q13946 3/20 0.47
PDE10A Q9Y233 3/20 0.47
PDE8A O60658 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL4510948 0.91 TYK2 (0.53) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4513622 0.89 PDE9A (0.48) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4502029 0.89 POLB (0.49) PDE9ASMN1; SMN2TYK2GRIN2BPDE5A
SCHEMBL4511659 0.88 PDE9A (0.50) PDE9ASMN1; SMN2TYK2PDE5AMEN1
SCHEMBL4512344 0.88 TYK2 (0.48) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4516468 0.86 TYK2 (0.51) PDE9ASMN1; SMN2TYK2PDE5AMEN1
SCHEMBL4505445 0.86 TYK2 (0.46) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4515391 0.86 TYK2 (0.46) PDE9ATYK2PDE5AMEN1KMT2A
SCHEMBL4520717 0.86 TSHR (0.49) PDE9ASMN1; SMN2TYK2PDE5AMEN1
SCHEMBL4513101 0.85 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 40/4885SMN1; SMN2 980/4885TYK2 4707/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE9A 29/4885SMN1; SMN2 714/4885TYK2 4749/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885SMN1; SMN2 3300/4885TYK2 3816/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885SMN1; SMN2 980/4885TYK2 4707/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE9A 34/4885SMN1; SMN2 639/4885TYK2 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.