SCHEMBL4891816

SCHEMBL4891816

CCCc1nn(C)c2c(=O)[nH]c(NCc3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PDE6C P51160 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
TERT O14746 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE1C Q14123 1/20 0.41
HDAC2 Q92769 1/20 0.41
MTOR P42345 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
SCHEMBL4892963 0.93 PDE5A (0.48) PDE5AHDAC1HDAC6TERTPDE3B
SCHEMBL4899811 0.92 PDE5A (0.48) PDE5AHDAC1HDAC6TERTPDE3B
SCHEMBL4899943 0.88 PDE5A (0.48) PDE5APIK3CAPIK3CBPDE6CTERT
SCHEMBL4903908 0.86 PDE5A (0.45) PDE5APIK3CAPIK3CBPDE6CHDAC1
SCHEMBL14021093 0.85 PDE5A (0.49) PDE5APDE6CHDAC1HDAC6TERT
SCHEMBL14045384 0.84 PDE5A (0.45) PDE5APDE6CHDAC1HDAC6TERT
SCHEMBL14045340 0.84 PDE5A (0.45) PDE5APDE6CHDAC1HDAC6TERT
SCHEMBL4902531 0.84 PDE5A (0.49) PDE5APDE6CPDE3BPDE3AMEN1
SCHEMBL4900558 0.82 PDE5A (0.48) PDE5APDE6CHDAC1HDAC6TERT
SCHEMBL4892978 0.82 PDE5A (0.45) PDE5APDE6CHDAC1HDAC6TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US claimed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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 PDE5A 1/4885PIK3CA 1305/4885PIK3CB 1629/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885PIK3CA 1346/4885PIK3CB 2107/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE5A 7/4885PIK3CA 918/4885PIK3CB 1060/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PIK3CA 1305/4885PIK3CB 1629/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PIK3CA 1270/4885PIK3CB 2138/4885

“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.