SCHEMBL17521773

SCHEMBL17521773

CCCN(CC1C[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADORA2B P29275 2/20 0.41
▸ P2RX1 P51575 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ AMD1 P17707 2/20 0.39
▸ DOT1L Q8TEK3 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ SETD2 Q9BYW2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL15395684 0.84 PI4KA (0.62) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL26533854 0.79 AHCY (0.40) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31756731 0.79 RXFP1 (0.49) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31756630 0.79 RXFP1 (0.49) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31756696 0.78 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL26811459 0.78 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL26811445 0.78 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970148 0.78 PI4KA (0.62) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL1802098 0.78 RXFP1 (0.37) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL22883255 0.77 AHCY (0.64) AHCYPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 — — 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 (1 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-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 AHCY 505/4885PI4KA 1540/4885PI4K2B 1677/4885

“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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