SCHEMBL4516468

SCHEMBL4516468

Cc1ccc(NC(=O)N2CC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.46
PDE9A O76083 2/20 0.44
PDE5A O76074 1/20 0.44
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 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 0.89 TYK2 (0.53) TYK2HTTTP53HPGDPDE9A
SCHEMBL4515587 0.88 TYK2 (0.46) TYK2HTTTP53HPGDPDE9A
SCHEMBL4502029 0.87 POLB (0.49) TYK2HTTSMN1; SMN2MAPTHPGD
SCHEMBL4514570 0.86 PDE9A (0.61) TYK2NPC1RAB9AHTTTP53
SCHEMBL4520993 0.86 GRIN2B (0.48) TYK2HTTMAPTHPGDPDE5A
SCHEMBL4512344 0.86 TYK2 (0.48) TYK2HTTTP53HPGDPDE9A
SCHEMBL4511659 0.86 PDE9A (0.50) TYK2HTTTP53SMN1; SMN2HPGD
SCHEMBL4511043 0.86 TYK2 (0.46) TYK2HTTTP53HPGDPDE9A
SCHEMBL4515391 0.84 TYK2 (0.46) TYK2HTTMAPTHPGDPDE9A
SCHEMBL4505445 0.84 TYK2 (0.46) TYK2HTTTP53MAPTHPGD

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 4707/4885NPC1 3036/4885RAB9A 2684/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885NPC1 2017/4885RAB9A 2737/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885NPC1 3876/4885RAB9A 1318/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885NPC1 3036/4885RAB9A 2684/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885NPC1 2167/4885RAB9A 2867/4885

“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.