SCHEMBL4904099

SCHEMBL4904099

CCCN(CCC)c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
MAPT P10636 1/20 0.37
ADORA1 P30542 4/20 0.35
ADORA2B P29275 6/20 0.34
ADORA2A P29274 5/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TERT O14746 2/20 0.33

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
SCHEMBL4905660 0.95 MAPT (0.39) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL4902005 0.77 PDE5A (0.56) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL4002977 0.76 PDE5A (0.42) PDE5APDE1APDE1BPDE1CADORA1
SCHEMBL4904083 0.76 KDM4E (0.48) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL4895792 0.75 FABP4 (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4903977 0.75 PDE9A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4897874 0.73 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4901847 0.72 ALDH1A1 (0.40) PDE5APDE1APDE1BPDE1CADORA1
SCHEMBL4127685 0.72 PDE5A (0.51) PDE5APDE1APDE1BPDE1CMAPT
SCHEMBL8049072 0.72 PDE5A (0.48) 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 11 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
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO 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
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 1/4885PDE1A 13/4885PDE1B 22/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE1A 10/4885PDE1B 17/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE5A 7/4885PDE1A 21/4885PDE1B 35/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE1A 13/4885PDE1B 22/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PDE1A 13/4885PDE1B 21/4885

“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.