SCHEMBL14045346

SCHEMBL14045346

CCCc1nn(C)c2c(=O)[nH]c(N(Cc3cccc(N4CCC=N4)c3)CC(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.41
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MTOR P42345 1/20 0.38
TERT O14746 2/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
PDE6C P51160 2/20 0.37
PDE2A O00408 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC5 O15440 1/20 0.37
PDE6D O43924 1/20 0.37
PDE8A O60658 1/20 0.37
PDE9A O76083 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL4895854 0.88 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL14045386 0.86 PDE5A (0.41) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL14021159 0.86 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4901484 0.85 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL14021009 0.83 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL14021142 0.82 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4905752 0.80 PDE5A (0.41) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4898303 0.80 PDE5A (0.48) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL14045384 0.80 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4901853 0.79 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A

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 7/4885PDE1A 21/4885PDE1B 35/4885

“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.