SCHEMBL4905660

SCHEMBL4905660

CCCN(CCC)c1nc2c(C3CC3)nn(C)c2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
PDE5A O76074 8/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PARP1 P09874 1/20 0.33
MTOR P42345 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TERT O14746 2/20 0.32
ADORA1 P30542 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4904099 0.95 PDE5A (0.40) MAPTPDE5APDE1APDE1BPDE1C
SCHEMBL4902005 0.79 PDE5A (0.56) MAPTPDE5APDE1APDE1BPDE1C
SCHEMBL4904083 0.78 KDM4E (0.48) MAPTPDE5APDE1APDE1BPDE1C
SCHEMBL4127685 0.74 PDE5A (0.51) MAPTPDE5APDE1APDE1BPDE1C
SCHEMBL4143420 0.73 CRHR1 (0.42) MAPTPDE5AMTORALDH1A1
SCHEMBL4136240 0.72 CRHR1 (0.39) MAPTPDE5APDE1APDE1BPDE1C
SCHEMBL4132060 0.71 PDE5A (0.43) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL4120264 0.71 CRHR1 (0.48) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4115556 0.71 ALDH1A1 (0.41) MAPTPDE5AMTORALDH1A1HPGD
SCHEMBL4002977 0.70 PDE5A (0.42) PDE5APDE1APDE1BPDE1CADORA1

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 MAPT 3809/4885PDE5A 1/4885PDE1A 13/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A MAPT 2933/4885PDE5A 1/4885PDE1A 10/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B MAPT 3196/4885PDE5A 7/4885PDE1A 21/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MAPT 3809/4885PDE5A 1/4885PDE1A 13/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A MAPT 3034/4885PDE5A 1/4885PDE1A 13/4885

“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.