SCHEMBL4903928

SCHEMBL4903928

CCCc1nn(C)c2c(=O)[nH]c(N(C)c3ccnc(N4CCOCC4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.46
PDE6C P51160 3/20 0.46
KDM4C Q9H3R0 1/20 0.43
TERT O14746 1/20 0.43
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MTOR P42345 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE2A O00408 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCC5 O15440 1/20 0.40
PDE6D O43924 1/20 0.40
PDE8A O60658 1/20 0.40
PDE9A O76083 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
SCHEMBL4903908 0.79 PDE5A (0.45) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4905827 0.79 PDE5A (0.44) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4899796 0.78 PDE5A (0.46) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4906484 0.77 PDE5A (0.46) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL5133752 0.77 KDM4C (0.39) KDM4CHDAC1
SCHEMBL4903837 0.77 PDE5A (0.46) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4892978 0.76 PDE5A (0.45) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4897820 0.75 PDE5A (0.49) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4900037 0.74 PDE5A (0.48) PDE5APDE6CTERTPDE1APDE1B
SCHEMBL4900871 0.71 PDE5A (0.48) PDE5APDE6CPDE1APDE1BPDE1C

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 4 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 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 (3 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE5A 7/4885PDE6C 25/4885KDM4C 2792/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 71/4885KDM4C 836/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PDE6C 71/4885KDM4C 1172/4885

“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.