SCHEMBL21311159

SCHEMBL21311159

Nc1ncnc2c1ncn2C1(O)COC(CNCn2cnc3c(NCc4ccco4)ncnc32)C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ TP53 P04637 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PAX8 Q06710 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SLC29A1 Q99808 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ DOT1L Q8TEK3 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NAE1 Q13564 1/20 0.36
▸ UBA3 Q8TBC4 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ NPC1 O15118 2/20 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
SCHEMBL21311158 0.81 HTT (0.41) HTTTP53LMNAPAX8ADORA3
SCHEMBL20097017 0.81 METTL3 (0.39) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL20097018 0.80 ADORA3 (0.70) TP53LMNAPAX8ADORA3SMN1; SMN2
SCHEMBL21311388 0.74 DOT1L (0.41) ADORA3DOT1LADORA2AGMPSATM
SCHEMBL21311468 0.73 ALDH1A1 (0.39) ADORA3DOT1LADORA2AALDH1A1GMPS
SCHEMBL20097049 0.72 ADORA3 (0.51) HTTTP53LMNAPAX8ADORA3
SCHEMBL20097205 0.72 ADORA2A (0.36) ADORA3DOT1LADORA2AGMPSATM
SCHEMBL21311192 0.72 DOT1L (0.37) ADORA3DOT1LADORA2AALDH1A1GMPS
SCHEMBL21311470 0.71 ADCY1 (0.39) ADORA3ADORA2AADORA1ALDH1A1GMPS
SCHEMBL23025515 0.71 ADORA3 (0.53) ADORA3SMN1; SMN2SLC29A1DOT1LADORA2A

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 HTT 2424/4885TP53 583/4885LMNA 1090/4885

“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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