SCHEMBL21176114

SCHEMBL21176114

Cc1csc(NC(=O)[C@H]2CC[C@@H](n3cnc4c(N)nccc43)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 17/20 0.68
▸ RAB9A P51151 1/20 0.50
▸ CHKB Q9Y259 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL19820779 1.00 CHKA (0.68) CHKARAB9ACHKBALDH1A1
SCHEMBL21176115 1.00 CHKA (0.68) CHKARAB9ACHKBALDH1A1
SCHEMBL21190294 0.83 CHKA (0.78) CHKA
SCHEMBL19820478 0.82 CHKA (0.84) CHKARAB9ACHKB
SCHEMBL21190174 0.82 CHKA (0.84) CHKARAB9ACHKB
SCHEMBL21176118 0.81 CHKA (1.00) CHKACHKB
SCHEMBL19820528 0.81 CHKA (1.00) CHKACHKB
SCHEMBL19820641 0.80 CHKA (0.75) CHKACHKB
SCHEMBL19820636 0.80 CHKA (0.75) CHKACHKB
SCHEMBL19813924 0.80 CHKA (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885RAB9A 2111/4885CHKB 6/4885
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS DCK, CHKA, ADK CHKA 2/4885RAB9A 2111/4885CHKB 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.

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