SCHEMBL10001403

SCHEMBL10001403

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)O)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.69
▸ PI4K2B Q8TCG2 1/20 0.69
▸ PI4K2A Q9BTU6 1/20 0.69
▸ PI4KB Q9UBF8 1/20 0.69
▸ AHCY P23526 6/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ TMEM97 Q5BJF2 1/20 0.65
▸ SIGMAR1 Q99720 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.60
▸ P2RX1 P51575 1/20 0.57
▸ P2RX3 P56373 1/20 0.57
▸ P2RX4 Q99571 1/20 0.57
▸ ADORA2B P29275 4/20 0.56
▸ HSP90B1 P14625 3/20 0.56
▸ ADORA2A P29274 3/20 0.56
▸ ADORA3 P0DMS8 5/20 0.55
▸ HSP90AA1 P07900 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL22354944 1.00 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL15870254 1.00 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12700167 1.00 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL20580185 1.00 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL26752544 0.91 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL22354823 0.91 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL22332144 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL20925712 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL20925696 0.89 ADORA3 (0.69) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13400312 0.88 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBAHCY

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209090-B2 3,6-disubstituted-2-pyridinaldoxime scaffolds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-01-28 — — US disclosed
EP-4384519-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION Albert-Ludwigs-Universität Freiburg (DE) 2024-06-19 — — EP disclosed
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
US-20220081442-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS UNIVERSITÉ DE STRASBOURG (FR) 2022-03-17 — — US disclosed
EP-3696170-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-08-19 — — EP disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 — — US disclosed
US-10077284-B2 UBA5 inhibitors THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2018-09-18 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
US-20170107247-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-20 — — US disclosed
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 — — WO disclosed
WO-2015179955-A1 UBA5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 — — WO disclosed
US-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 — — 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 (7 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A PI4KA 1207/4885PI4K2B 2155/4885PI4K2A 1681/4885
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD PI4KA 769/4885PI4K2B 1095/4885PI4K2A 903/4885
US-10077284-B2 UBA5 inhibitors UBQLN2, UBTF, UBQLN1 PI4KA 1575/4885PI4K2B 1568/4885PI4K2A 2218/4885
US-12209090-B2 3,6-disubstituted-2-pyridinaldoxime scaffolds XDH, TPX2, CYP4X1 PI4KA 2999/4885PI4K2B 2361/4885PI4K2A 2567/4885
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK PI4KA 265/4885PI4K2B 389/4885PI4K2A 388/4885
US-20170107247-A1 UBA5 INHIBITORS UBQLN2, UBTF, UBQLN1 PI4KA 1575/4885PI4K2B 1568/4885PI4K2A 2218/4885
US-20220081442-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS XDH, TPX2, CYP4X1 PI4KA 2999/4885PI4K2B 2361/4885PI4K2A 2567/4885

“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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