SCHEMBL4512344

SCHEMBL4512344

CN(C)c1ccc(NC(=O)N2CC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.48
PDE9A O76083 2/20 0.46
PDE5A O76074 3/20 0.44
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
DAPK3 O43293 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDR P35968 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41

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) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4511043 0.91 TYK2 (0.46) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4502029 0.89 POLB (0.49) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4514570 0.88 PDE9A (0.61) TYK2PDE9APDE5AALDH1A1HTT
SCHEMBL4511659 0.88 PDE9A (0.50) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4516468 0.86 TYK2 (0.51) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4505445 0.86 TYK2 (0.46) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4515391 0.86 TYK2 (0.46) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4520717 0.86 TSHR (0.49) TYK2PDE9APDE5APTGS2ALDH1A1
SCHEMBL4513101 0.85 MAPK1 (0.51) TYK2PDE9APDE5AALDH1A1HPGD

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 4707/4885PDE9A 40/4885PDE5A 1/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885PDE9A 29/4885PDE5A 1/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885PDE9A 13/4885PDE5A 7/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885PDE9A 40/4885PDE5A 1/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885PDE9A 34/4885PDE5A 1/4885

“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.