SCHEMBL4520993

SCHEMBL4520993

O=C(Nc1cccc(Cl)c1)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
TSHR P16473 3/20 0.46
TYK2 P29597 1/20 0.46
DAPK3 O43293 2/20 0.45
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
DAPK1 P53355 1/20 0.45
DAPK2 Q9UIK4 1/20 0.45
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
DNMT1 P26358 1/20 0.44
PTGS2 P35354 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RECQL P46063 1/20 0.43
KCNJ6 P48051 2/20 0.43

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
SCHEMBL4510948 0.91 TYK2 (0.53) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4515587 0.88 TYK2 (0.46) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4511043 0.87 TYK2 (0.46) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4516468 0.86 TYK2 (0.51) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4502029 0.85 POLB (0.49) GRIN2BALDH1A1HPGDTSHRTYK2
SCHEMBL4511659 0.84 PDE9A (0.50) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4520987 0.84 PDE9A (0.55) KMT2AMEN1PDE5A
SCHEMBL4515391 0.83 TYK2 (0.46) ALDH1A1HPGDTYK2DAPK3PIM1
SCHEMBL4512344 0.83 TYK2 (0.48) ALDH1A1HPGDTSHRTYK2DAPK3
SCHEMBL4514570 0.83 PDE9A (0.61) GRIN2BALDH1A1TSHRTYK2POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 GRIN2B 4742/4885ALDH1A1 1873/4885HPGD 137/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A GRIN2B 4654/4885ALDH1A1 1254/4885HPGD 123/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B GRIN2B 4160/4885ALDH1A1 240/4885HPGD 132/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A GRIN2B 4742/4885ALDH1A1 1873/4885HPGD 137/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A GRIN2B 4739/4885ALDH1A1 1336/4885HPGD 151/4885

“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.