SCHEMBL21311391

SCHEMBL21311391

Nc1ncnc2c1ncn2C1(OCc2ccccc2)COC(CCl)C1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.43
▸ PI4KA P42356 4/20 0.43
▸ PI4K2B Q8TCG2 4/20 0.43
▸ PI4K2A Q9BTU6 4/20 0.43
▸ PI4KB Q9UBF8 4/20 0.43
▸ AHCY P23526 3/20 0.39
▸ DOT1L Q8TEK3 3/20 0.38
▸ ADORA1 P30542 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ GMPS P49915 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ HSPA5 P11021 1/20 0.34

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
SCHEMBL21311157 0.92 PI4KA (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21311156 0.91 ADORA2A (0.40) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21311392 0.86 DOT1L (0.45) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21311397 0.84 DOT1L (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21311158 0.77 HTT (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20096659 0.71 AHCY (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21311154 0.70 ADORA3 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8704526 0.69 AHCY (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL24855829 0.68 ADORA3 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL26828674 0.68 ADORA3 (0.49) ADORA2API4KAPI4K2BPI4K2API4KB

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 ADORA2A 2943/4885PI4KA 1441/4885PI4K2B 1610/4885

“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.

Send feedback