SCHEMBL21176131

SCHEMBL21176131

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHKA P35790 18/20 0.42
CHKB Q9Y259 7/20 0.42
TMIGD3 P0DMS9 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL21176132 1.00 CHKA (0.42) CHKACHKBTMIGD3HTR2CHTR2B
SCHEMBL21176120 0.90 CHKA (0.45) CHKACHKB
SCHEMBL19820509 0.90 CHKA (0.45) CHKACHKB
SCHEMBL29353035 0.88 CDK1 (0.36) CHKACHKBADORA3
SCHEMBL29354360 0.87 CHKA (0.36) CHKACHKB
SCHEMBL29350248 0.79 CHKA (0.36) CHKACHKBADORA3
SCHEMBL29354564 0.79 CHKA (0.38) CHKACHKB
SCHEMBL21594947 0.76 ADORA3 (0.35) TMIGD3HTR2CHTR2BADORA3
SCHEMBL19820532 0.75 CHKA (0.66) CHKACHKB
SCHEMBL19820535 0.75 CHKA (0.66) CHKACHKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790164-B Purine and 3-deazapurine analogues as choline kinase inhibitors 内尔维亚诺医疗科学公司 2022-01-25 CN disclosed
US-10683292-B2 Purine and 3-deazapurine analogues as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-06-16 US disclosed
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-07-25 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-10683292-B2 Purine and 3-deazapurine analogues as choline kinase inhibitors DCK, CHKA, ADK CHKA 2/4885CHKB 6/4885TMIGD3 3258/4885
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS DCK, CHKA, ADK CHKA 2/4885CHKB 6/4885TMIGD3 3258/4885

“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.