SCHEMBL14045384

SCHEMBL14045384

CCCc1nn(C)c2c(=O)[nH]c(NCc3cccc(N4CCC=N4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.45
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.41
TERT O14746 2/20 0.40
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE6C P51160 2/20 0.38
PDE2A O00408 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCC5 O15440 1/20 0.38
PDE6D O43924 1/20 0.38

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 0.87 PDE5A (0.48) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL4899811 0.86 PDE5A (0.48) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL14045340 0.85 PDE5A (0.45) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL14021093 0.84 PDE5A (0.49) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL4891816 0.84 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL14021092 0.81 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL4898396 0.81 PDE5A (0.52) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL14021111 0.81 PDE5A (0.46) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL14045346 0.80 PDE5A (0.41) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL4899943 0.79 PDE5A (0.48) PDE5APDE3BPDE3APDE1APDE1B

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 1 patent. 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 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 (1 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 7/4885PDE3B 11/4885PDE3A 8/4885

“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.