SCHEMBL4510380

SCHEMBL4510380

CC(C)(C)NC(=O)N1CC(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.53
DAPK3 O43293 1/20 0.51
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PTGS2 P35354 2/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
PDE5A O76074 3/20 0.46
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 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 0.86 TYK2 (0.53) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4510202 0.86 TYK2 (0.58) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4510912 0.85 TYK2 (0.53) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4498996 0.84 TYK2 (0.53) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4515628 0.84 TYK2 (0.50) TYK2PTGS2ALDH1A1HPGDHTT
SCHEMBL4505705 0.83 PTGS2 (0.50) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4498035 0.83 TYK2 (0.47) TYK2DAPK3PIM1PIM3PTGS2
SCHEMBL4502029 0.82 POLB (0.49) TYK2PTGS2ALDH1A1HPGDHTT
SCHEMBL4519540 0.82 POLB (0.54) TYK2ALDH1A1HPGDHTTMEN1
SCHEMBL4511659 0.82 PDE9A (0.50) TYK2DAPK3PIM1PIM3PTGS2

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 TYK2 4707/4885DAPK3 868/4885PIM1 250/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885DAPK3 953/4885PIM1 325/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885DAPK3 648/4885PIM1 2185/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885DAPK3 868/4885PIM1 250/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885DAPK3 1117/4885PIM1 234/4885

“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.