SCHEMBL20182450

SCHEMBL20182450

Cc1cc(CCCN2C(=O)c3c(ncn3C)N(C)C2O)on1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 2/20 0.33
ROCK2 O75116 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA6 Q9UK32 1/20 0.33
VHL P40337 2/20 0.32

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
SCHEMBL20182659 0.86 VRK1 (0.31) VRK1ROCK2CSNK1DCSNK1ERPS6KA3
SCHEMBL20182459 0.81 CYP11B2 (0.32)
SCHEMBL20182573 0.77
SCHEMBL20182584 0.76 VRK1 (0.33) VRK1ROCK2CSNK1DCSNK1ERPS6KA3
SCHEMBL20182663 0.76 TAS2R8 (0.31)
SCHEMBL20182648 0.75 P2RX7 (0.37) VRK1ROCK2CSNK1DCSNK1ERPS6KA3
SCHEMBL24611645 0.74
SCHEMBL19789931 0.73
SCHEMBL18706785 0.73
SCHEMBL20011295 0.72 POLB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 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 (2 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A VRK1 2159/4885ROCK2 396/4885CSNK1D 1803/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A VRK1 2159/4885ROCK2 396/4885CSNK1D 1803/4885

“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.