SCHEMBL4900558

SCHEMBL4900558

CCCc1nn(C)c2c(=O)[nH]c(NCc3ccc(CN4CCOCC4)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.48
PDE6C P51160 1/20 0.48
TERT O14746 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE1C Q14123 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTOR P42345 1/20 0.41
CLPP Q16740 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4899943 0.91 PDE5A (0.48) PDE5APDE6CTERTPDE3BPDE3A
SCHEMBL4904130 0.83 PDE5A (0.48) PDE5APDE6CTERTPDE3BPDE3A
SCHEMBL4891895 0.83 PDE5A (0.53) PDE5ATERTPDE3BPDE3AALDH1A1
SCHEMBL4891816 0.82 PDE5A (0.46) PDE5APDE6CTERTPDE3BPDE3A
SCHEMBL4903970 0.82 PDE5A (0.50) PDE5APDE3BPDE3AMTOR
SCHEMBL4902531 0.82 PDE5A (0.49) PDE5APDE6CPDE3BPDE3AALDH1A1
SCHEMBL4903908 0.82 PDE5A (0.45) PDE5APDE6CTERTPDE3BPDE3A
SCHEMBL4895951 0.80 PDE1A (0.56) PDE5APDE6CTERTPDE3BPDE3A
SCHEMBL4892881 0.79 KMT2A (0.56) PDE5APDE6CPDE3BPDE3AALDH1A1
SCHEMBL4903847 0.79 PDE5A (0.45) PDE5APDE6CTERTPDE3BPDE3A

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 9 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
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

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 1/4885PDE6C 71/4885TERT 3008/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 61/4885TERT 2972/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE5A 7/4885PDE6C 25/4885TERT 3023/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 71/4885TERT 3008/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PDE6C 71/4885TERT 3090/4885

“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.