SCHEMBL866922

SCHEMBL866922

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2c1coc2c(N)ncnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.50
PI4K2B Q8TCG2 2/20 0.50
PI4K2A Q9BTU6 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
HIF1A Q16665 2/20 0.39
RXFP1 Q9HBX9 1/20 0.36
ADORA2A P29274 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
GAA P10253 1/20 0.33
OR51E2 Q9H255 1/20 0.32
AMD1 P17707 2/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
SLC28A1 O00337 1/20 0.31
MAP3K7 O43318 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
SCHEMBL867517 0.82 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL18009769 0.81 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL866642 0.79 RXFP1 (0.36) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18026290 0.79 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL3301771 0.79 HIF1A (0.58) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL29444521 0.78 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18009718 0.76 RXFP1 (0.31) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL866604 0.76 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL10149282 0.76 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBHIF1A
SCHEMBL11997788 0.76 HIF1A (0.47) PI4KAPI4K2BPI4K2API4KBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262057-B1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2020-04-15 EP disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 US disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 US disclosed
EP-3262057-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc (US) 2018-01-03 EP disclosed
WO-2016135582-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-09-01 WO disclosed
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-08-25 US disclosed
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-08-25 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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 (3 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-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD PI4KA 769/4885PI4K2B 1095/4885PI4K2A 903/4885
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS TYMP, NME1, PNP PI4KA 989/4885PI4K2B 1184/4885PI4K2A 1232/4885
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 PI4KA 3835/4885PI4K2B 4393/4885PI4K2A 3886/4885

“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.