SCHEMBL21311476

SCHEMBL21311476

Nc1ncnc2c1ncn2C1(O)COC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 2/20 0.41
▸ MCHR1 Q99705 1/20 0.38
▸ ADORA3 P0DMS8 4/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ ADORA2B P29275 1/20 0.37
▸ GMPS P49915 1/20 0.36
▸ SLC28A1 O00337 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1I Q9P0X4 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
SCHEMBL21311195 0.85 EGFR (0.44) DOT1L
SCHEMBL21311194 0.78 PI4KA (0.48) ADORA3ADORA2AGMPSSLC28A1
SCHEMBL20097120 0.77 DOT1L (0.63) DOT1LADORA3ADORA2AADORA1ADORA2B
SCHEMBL21311216 0.76 ADORA2A (0.47) DOT1LADORA3ADORA2AADORA1ADORA2B
SCHEMBL25521510 0.76 ADORA3 (0.53) DOT1LADORA3ADORA2AADORA1ADORA2B
SCHEMBL23025515 0.76 ADORA3 (0.53) DOT1LADORA3ADORA2AADORA1ADORA2B
SCHEMBL21311193 0.76 DOT1L (0.38) DOT1LADORA3ADORA2AGMPSSLC28A1
SCHEMBL22837929 0.75 TRPM2 (0.46) —
SCHEMBL21311217 0.75 ADORA2A (0.47) DOT1LADORA3ADORA2AADORA1ADORA2B
SCHEMBL21311154 0.75 ADORA3 (0.47) DOT1LADORA3ADORA2AADORA1ADORA2B

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 DOT1L 2274/4885MCHR1 4529/4885ADORA3 2754/4885

“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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