SCHEMBL4897525

SCHEMBL4897525

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ABCC5 O15440 1/20 0.32
MTOR P42345 1/20 0.31
PDE5A O76074 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
SCHEMBL4892920 0.82 PDE5A (0.50) KDM4EALDH1A1POLBABCC5MTOR
SCHEMBL4904083 0.80 KDM4E (0.48) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4906373 0.78 KDM4E (0.43) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4891858 0.73 KDM4E (0.45) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4897910 0.71 KDM4E (0.43) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3995952 0.71 KDM4E (0.39) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4902339 0.70 PDE5A (0.55) KDM4EALDH1A1POLBABCC5MTOR
SCHEMBL4139984 0.70 ALDH1A1 (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4132580 0.69 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8042659 0.69 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 7 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-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 (3 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-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.