SCHEMBL17213486

SCHEMBL17213486

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](Nc3ncnc(Cl)c3N)[C@@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
GALR3 O60755 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL17203145 0.84 IRAK4 (0.32) IRAK4
SCHEMBL782775 0.79 JAK2 (0.34) PI4KAPI4K2BPI4K2API4KB
SCHEMBL9470809 0.78 RAB9A (0.39) RAB9AGALR3IRAK4GAAMAPT
SCHEMBL17202664 0.78
SCHEMBL1800304 0.77 IRAK4 (0.47) IRAK4
SCHEMBL11159094 0.77 IRAK4 (0.47) IRAK4
SCHEMBL783645 0.77 MEN1 (0.39)
SCHEMBL805396 0.77 PI4KA (0.33) RAB9API4KAPI4K2BPI4K2API4KB
SCHEMBL12036746 0.77 IRAK4 (0.38) IRAK4
SCHEMBL7516960 0.77 P2RY12 (0.34)

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 8 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
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
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 US disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 US disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 US 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 RAB9A 2893/4885GALR3 3134/4885PI4KA 1689/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E RAB9A 3099/4885GALR3 2789/4885PI4KA 1715/4885

“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.