SCHEMBL9912350

SCHEMBL9912350

C[C@H]1C[C@@H](CO)O[C@H]1c1cc2c3c(ncnn13)N(C)N=C2N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ACVRL1 P37023 3/20 0.33
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL14642597 0.79 PIK3CD (0.38) ACVRL1
SCHEMBL14642543 0.76 ACVRL1 (0.37) ACVRL1
SCHEMBL14642635 0.75 PIK3CD (0.42) ACVRL1
SCHEMBL14642738 0.74 ACVRL1 (0.41) ACVRL1
SCHEMBL14642529 0.74 PIK3CD (0.37) ACVRL1
SCHEMBL14642542 0.74 CSNK2A2 (0.36) ACVRL1
SCHEMBL7602186 0.74 ACVRL1 (0.36) ALDH1A1HTTACVRL1
SCHEMBL9911172 0.74 MAPK1 (0.41) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL13519773 0.74 ACVRL1 (0.42) ACVRL1
SCHEMBL13532224 0.72 CSNK2A2 (0.38) ACVRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 — — US disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — 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 (2 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-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAPK1 2200/4885TDP1 1008/4885CYP1A2 3500/4885
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAPK1 2200/4885TDP1 1008/4885CYP1A2 3500/4885

“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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