SCHEMBL22039142

SCHEMBL22039142

Cc1nc2c(=O)[nH]c(N)nc2n1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.44
PDE7B Q9NP56 4/20 0.44
HCAR1 Q9BXC0 2/20 0.43
PNP P00491 5/20 0.42
DHFR P00374 3/20 0.41
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
XDH P47989 1/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL22039136 0.99 HCAR1 (0.45) PDE7APDE7BHCAR1PNPDHFR
SCHEMBL21977265 0.83 PDE7A (0.58) PDE7APDE7BPNPDHFRALDH1A1
SCHEMBL29903916 0.81 PDE7A (0.42) PDE7APDE7BHCAR1PNPDHFR
SCHEMBL30707754 0.78 PDE7A (0.42) PDE7APDE7BPNPXDHUSP2
SCHEMBL12958955 0.73 XDH (0.49) PNPDHFRXDHALDH1A1
SCHEMBL22560002 0.72 PIK3CD (0.45) HCAR1PNPRGS12USP2ALDH1A1
SCHEMBL29903897 0.72 PDE7A (0.37) PDE7APDE7BPNPRGS12USP2
SCHEMBL9366143 0.72 PNP (0.49) PNP
SCHEMBL9366148 0.72 PNP (0.49) PNP
SCHEMBL14743926 0.71 GRIA1 (0.62) PNPXDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 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 (1 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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 PDE7A 4164/4885PDE7B 4241/4885HCAR1 1526/4885

“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.