SCHEMBL17203129

SCHEMBL17203129

OC[C@H]1O[C@@H](n2cnc3ccc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ HPGD P15428 1/20 0.56
▸ ADORA2A P29274 2/20 0.54
▸ ADORA2B P29275 2/20 0.54

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
SCHEMBL10693613 0.82 KDM4E (0.69) LMNATP53KDM4EPKMHPGD
SCHEMBL6300238 0.82 KDM4E (0.69) LMNATP53KDM4EPKMHPGD
SCHEMBL17202513 0.81 LMNA (0.62) LMNATP53KDM4EPKMHPGD
SCHEMBL23982444 0.81 LMNA (0.62) LMNATP53KDM4EPKMHPGD
SCHEMBL20419156 0.80 MAPT (0.56) LMNATP53KDM4EPKMADORA2A
SCHEMBL23982252 0.80 MAPT (0.56) LMNATP53KDM4EPKMADORA2A
SCHEMBL23982295 0.79 LMNA (0.69) LMNATP53HPGDADORA2AADORA2B
SCHEMBL23982067 0.79 LMNA (0.69) LMNATP53HPGDADORA2AADORA2B
SCHEMBL10625750 0.79 LMNA (0.69) LMNATP53HPGDADORA2AADORA2B
SCHEMBL6687832 0.79 KDM4E (0.71) LMNATP53KDM4EPKMADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 — — EP disclosed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 — — US disclosed
EP-3134411-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER Vitae Pharmaceuticals, Inc. (US) 2017-03-01 — — EP disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — US disclosed
WO-2015164573-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER VITAE PHARMACEUTICALS, INC. (US) 2015-10-29 — — WO 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-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer ENTPD5, NT5E, ENTPD1 LMNA 2227/4885TP53 290/4885KDM4E 1413/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E LMNA 2579/4885TP53 301/4885KDM4E 1247/4885

“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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