SCHEMBL10001405

SCHEMBL10001405

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.82
PI4K2B Q8TCG2 2/20 0.82
PI4K2A Q9BTU6 2/20 0.82
PI4KB Q9UBF8 2/20 0.82
RXFP1 Q9HBX9 1/20 0.70
P2RX1 P51575 1/20 0.64
P2RX3 P56373 1/20 0.64
P2RX4 Q99571 1/20 0.64
AMD1 P17707 3/20 0.62
GAA P10253 1/20 0.56
ADORA3 P0DMS8 3/20 0.54
DPP4 P27487 1/20 0.54
MEN1 O00255 1/20 0.54
SLC28A1 O00337 1/20 0.54
MAP3K7 O43318 1/20 0.54
SLC28A2 O43868 1/20 0.54
GAPDH P04406 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54

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
SCHEMBL19818244 1.00 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16378770 1.00 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17108374 1.00 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16128942 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19711603 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20155850 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940610 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16128949 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12899828 0.91 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL460252 0.91 PI4KA (0.82) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-06-22 US disclosed
US-20190300561-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2019-10-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190300561-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS MECP2, DOT1L, DNMT1 PI4KA 3596/4885PI4K2B 3781/4885PI4K2A 3729/4885
US-11753433-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 PI4KA 3857/4885PI4K2B 3873/4885PI4K2A 3832/4885
US-20230190797-A1 COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY HAVCR2, CD4, CCR1 PI4KA 1903/4885PI4K2B 2525/4885PI4K2A 2240/4885
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK PI4KA 265/4885PI4K2B 389/4885PI4K2A 388/4885
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 PI4KA 3857/4885PI4K2B 3873/4885PI4K2A 3832/4885

“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.