SCHEMBL17205409

SCHEMBL17205409

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CS)O[C@H]2n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ADORA3 P0DMS8 6/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
ADORA2A P29274 2/20 0.42
PDE2A O00408 2/20 0.42
ADORA1 P30542 1/20 0.42
ADRA1A P35348 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL17205410 1.00 LMNA (0.54) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL23914964 0.89 LMNA (0.65) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL17205571 0.89 LMNA (0.65) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL18493278 0.89 LMNA (0.65) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL18512532 0.82 PI4KA (0.59) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL14075797 0.81 PI4KA (0.72) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL7202481 0.81 PI4KA (0.72) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL19387129 0.81 PI4KA (0.72) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL572470 0.81 PI4KA (0.72) LMNATP53PI4KAPI4K2BPI4K2A
SCHEMBL4148537 0.81 PI4KA (0.58) LMNATP53PI4KAPI4K2BPI4K2A

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 290/4885PI4KA 1689/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E LMNA 2579/4885TP53 301/4885PI4KA 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.