SCHEMBL4904083

SCHEMBL4904083

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
PDE5A O76074 5/20 0.36
MTOR P42345 1/20 0.36
ABCC5 O15440 1/20 0.34
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE1C Q14123 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
SCHEMBL4902005 0.81 PDE5A (0.56) KDM4EALDH1A1MAPTPOLBPDE5A
SCHEMBL4897525 0.80 KDM4E (0.44) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8045132 0.78 KDM4E (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4906373 0.78 KDM4E (0.43) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4905660 0.78 MAPT (0.39) ALDH1A1MAPTPDE5AMTORADORA1
SCHEMBL4904099 0.76 PDE5A (0.40) MAPTLMNAHIF1APDE5AADORA1
SCHEMBL4127685 0.76 PDE5A (0.51) ALDH1A1MAPTHTTPDE5AMEN1
SCHEMBL4143420 0.75 CRHR1 (0.42) KDM4EALDH1A1MAPTPDE5AMTOR
SCHEMBL8042659 0.75 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8049123 0.75 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2

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 KDM4E 599/4885ALDH1A1 1873/4885NPSR1 1396/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A KDM4E 724/4885ALDH1A1 1254/4885NPSR1 1386/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B KDM4E 2357/4885ALDH1A1 130/4885NPSR1 2719/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A KDM4E 599/4885ALDH1A1 1873/4885NPSR1 1396/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A KDM4E 722/4885ALDH1A1 1336/4885NPSR1 1129/4885

“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.