SCHEMBL21311472

SCHEMBL21311472

COc1ccc(CC(=O)NCC2OCC(O)(n3cnc4c(N)ncnc43)C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.41
▸ TRDMT1 O14717 1/20 0.40
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ NSD3 Q9BZ95 1/20 0.39
▸ SLC28A2 O43868 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CARM1 Q86X55 2/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL21311193 0.89 DOT1L (0.38) TRDMT1
SCHEMBL21311210 0.84 — —
SCHEMBL21311195 0.79 EGFR (0.44) CARM1
SCHEMBL21311194 0.78 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL20096931 0.78 TRDMT1 (0.61) TRDMT1ATMCARM1
SCHEMBL21311217 0.76 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL20097184 0.75 — —
SCHEMBL23025515 0.74 ADORA3 (0.53) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL21311216 0.74 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL25521510 0.74 ADORA3 (0.53) PI4KAPI4K2BPI4K2API4KBSLC28A2

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 CHKA 2475/4885TRDMT1 28/4885PI4KA 1441/4885

“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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