SCHEMBL4901550

SCHEMBL4901550

CCn1nc(C(C)(C)C)c2nc(N(Cc3cccc(N4CCOCC4)c3)CC(C)C)[nH]c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.35
KDM5B Q9UGL1 1/20 0.34
MAPT P10636 2/20 0.34
PIK3CB P42338 3/20 0.33
GAA P10253 2/20 0.33
TPH1 P17752 2/20 0.33
TPH2 Q8IWU9 2/20 0.33
USP2 O75604 2/20 0.33
PIK3CA P42336 1/20 0.33
CFTR P13569 1/20 0.33
AGXT P21549 1/20 0.32
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL4133677 0.87 TPH1 (0.33) MAPTPIK3CBGAATPH1TPH2
SCHEMBL4893446 0.86 KDM4E (0.37) RORCKDM5BMAPTPIK3CBGAA
SCHEMBL4895781 0.85 KDM4E (0.38) RORCKDM5BMAPTPIK3CBGAA
SCHEMBL4903611 0.84 KDM4E (0.36) KDM5BMAPTPIK3CBGAATPH1
SCHEMBL4901484 0.81 PDE5A (0.42) ALDH1A1CYP3A4
SCHEMBL4903686 0.80 KDM4E (0.37) KDM5BMAPTPIK3CBGAATPH1
SCHEMBL5134147 0.79 RORC (0.34) RORCKDM5BCFTRAGXTMETAP2
SCHEMBL4128842 0.78 KDM4E (0.35) MAPTGAATPH1TPH2USP2
SCHEMBL14021008 0.77 KDM4E (0.40) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL4905752 0.75 PDE5A (0.41) ALDH1A1CYP3A4

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 10 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
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
WO-2009071706-A1 PYRAZOLEPYRIMIDINE 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 (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 RORC 4217/4885KDM5B 697/4885MAPT 3809/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A RORC 4202/4885KDM5B 594/4885MAPT 2933/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B RORC 1576/4885KDM5B 1321/4885MAPT 3196/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A RORC 4217/4885KDM5B 697/4885MAPT 3809/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A RORC 4230/4885KDM5B 689/4885MAPT 3034/4885

“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.