SCHEMBL18009771

SCHEMBL18009771

CON(C)C(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.61
▸ PI4K2B Q8TCG2 1/20 0.61
▸ PI4K2A Q9BTU6 1/20 0.61
▸ PI4KB Q9UBF8 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.56
▸ AHCY P23526 6/20 0.54
▸ P2RX1 P51575 1/20 0.53
▸ P2RX3 P56373 1/20 0.53
▸ P2RX4 Q99571 1/20 0.53
▸ ADORA3 P0DMS8 3/20 0.52
▸ ADORA2B P29275 3/20 0.52
▸ HSP90B1 P14625 3/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL7680471 0.89 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6572792 0.89 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15870254 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL22354944 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20580185 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12700167 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL22354823 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL26752544 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10001403 0.85 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6574532 0.83 ALDH1A1 (0.44) PI4KAPI4K2BPI4K2API4KBRXFP1

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 7 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

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-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

“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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