SCHEMBL21311157

SCHEMBL21311157

NCC1OCC(OCc2ccccc2)(n2cnc3c(N)ncnc32)C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.41
▸ PI4K2B Q8TCG2 4/20 0.41
▸ PI4K2A Q9BTU6 4/20 0.41
▸ PI4KB Q9UBF8 4/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ AHCY P23526 3/20 0.40
▸ DOT1L Q8TEK3 3/20 0.39
▸ EGFR P00533 1/20 0.36
▸ GMPS P49915 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL21311156 0.92 ADORA2A (0.40) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21311391 0.92 ADORA2A (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21311392 0.86 DOT1L (0.45) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21311397 0.84 DOT1L (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21311158 0.78 HTT (0.41) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL8704526 0.70 AHCY (0.47) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21311216 0.69 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24855829 0.69 ADORA3 (0.47) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL26828674 0.68 ADORA3 (0.49) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2372499 0.67 AHCY (0.44) PI4KAPI4K2BPI4K2API4KBADORA2A

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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 (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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 PI4KA 1441/4885PI4K2B 1610/4885PI4K2A 1284/4885

“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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