SCHEMBL21176116

SCHEMBL21176116

Nc1nc(Cl)nc2c1ncn2C1CCC(C(=O)Nc2nc3cc(F)c(F)cc3s2)CC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHKA P35790 20/20 0.81
CHKB Q9Y259 11/20 0.77

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
SCHEMBL19820705 1.00 CHKA (0.81) CHKACHKB
SCHEMBL19817241 0.90 CHKA (1.00) CHKACHKB
SCHEMBL19817242 0.90 CHKA (1.00) CHKACHKB
SCHEMBL19820645 0.90 CHKA (0.77) CHKACHKB
SCHEMBL21176156 0.90 CHKA (0.77) CHKACHKB
SCHEMBL19820723 0.89 CHKA (0.72) CHKACHKB
SCHEMBL19820708 0.89 CHKA (0.72) CHKACHKB
SCHEMBL19813938 0.88 CHKA (0.86) CHKACHKB
SCHEMBL19813940 0.88 CHKA (0.86) CHKACHKB
SCHEMBL19820771 0.87 CHKA (0.74) 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 6 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 claimed
US-10683292-B2 Purine and 3-deazapurine analogues as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-06-16 US claimed
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-07-25 US claimed
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 6/4885
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS DCK, CHKA, ADK CHKA 2/4885CHKB 6/4885

“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.