SCHEMBL4891895

SCHEMBL4891895

CCCc1nn(C)c2c(=O)[nH]c(NCc3ccc(F)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MTOR P42345 1/20 0.47
TERT O14746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 6/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4901999 0.91 PDE5A (0.52) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4898396 0.88 PDE5A (0.52) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4892881 0.86 KMT2A (0.56) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4903970 0.85 PDE5A (0.50) PDE5APDE3BPDE3AMTOR
SCHEMBL4904130 0.84 PDE5A (0.48) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4896973 0.83 PDE5A (0.48) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4900558 0.83 PDE5A (0.48) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4900033 0.82 PDE5A (0.48) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4897814 0.82 PDE5A (0.48) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4903578 0.80 PDE5A (0.52) PDE5AMEN1ALDH1A1HPGDPDE1A

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 1/4885MEN1 3784/4885ALDH1A1 1873/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885MEN1 3234/4885ALDH1A1 1254/4885
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B PDE5A 7/4885MEN1 4399/4885ALDH1A1 130/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885MEN1 3784/4885ALDH1A1 1873/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885MEN1 2693/4885ALDH1A1 1336/4885

“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.