SCHEMBL4510882

SCHEMBL4510882

CC(C)(C)n1ncc2c(=O)[nH]c(C3CN(c4nc5ccccc5[nH]4)C3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
TRPC3 Q13507 1/20 0.41
HTR3A P46098 3/20 0.40
TYK2 P29597 1/20 0.40
AURKA O14965 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PAX8 Q06710 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
PDE9A O76083 1/20 0.36
PDE1C Q14123 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL4502697 0.87 AURKA (0.41) PDE10ATYK2AURKAPDE9APDE1C
SCHEMBL4515160 0.85 PDE9A (0.37) TYK2PDE9ASMN1; SMN2
SCHEMBL4512827 0.85 PDE10A (0.46) PDE10ATYK2PDE9APDE1CHPGD
SCHEMBL4512357 0.83 KMT2A (0.53) PDE10ATYK2NPC1RAB9AKDM4E
SCHEMBL13865986 0.83 TYK2 (0.39) HTR3ATYK2NPC1RAB9AKDM4E
SCHEMBL4510022 0.82 PDE9A (0.53) PDE9APDE1C
SCHEMBL4522085 0.80 PDE9A (0.43) TYK2PDE9APDE1C
SCHEMBL13865780 0.78 TYK2 (0.46) TYK2PDE9APDE1C
SCHEMBL4590803 0.77 PDE10A (0.46) PDE10ATRPC3HTR3ANPC1RAB9A
SCHEMBL4515032 0.76 GRM2 (0.43) PDE9APDE1C

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-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
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US 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 PDE10A 58/4885TRPC3 1647/4885HTR3A 949/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE10A 47/4885TRPC3 3007/4885HTR3A 951/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE10A 12/4885TRPC3 3347/4885HTR3A 3856/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE10A 58/4885TRPC3 1647/4885HTR3A 949/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE10A 50/4885TRPC3 2560/4885HTR3A 1042/4885

“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.