SCHEMBL4002977

SCHEMBL4002977

Cn1nc(C2CCCC2)c2nc(Cl)[nH]c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
KMT2A Q03164 1/20 0.37
PDE7A Q13946 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA2B P29275 4/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL4901847 0.79 ALDH1A1 (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4904099 0.76 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4895792 0.75 FABP4 (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4903954 0.73 CLPP (0.44)
SCHEMBL22119263 0.73 PDE5A (0.35) PDE5A
SCHEMBL4897874 0.73 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4905660 0.70 MAPT (0.39) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4903977 0.70 PDE9A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL3127667 0.69 PDE5A (0.61) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1869547 0.66 ADORA2B (0.46) KMT2AADORA2AADORA2BLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO 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 (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.