SCHEMBL13384047

SCHEMBL13384047

Cc1nc2c(ncn2[C@@H]2O[C@H](CO[Rf])C(OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2C)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 4/20 0.34
▸ IMPDH2 P12268 6/20 0.34
▸ IMPDH1 P20839 2/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NT5E P21589 1/20 0.32
▸ KRAS P01116 1/20 0.31
▸ PNP P00491 1/20 0.31
▸ GSK3A P49840 2/20 0.30
▸ RPS6KA3 P51812 2/20 0.30
▸ MAPK14 Q16539 2/20 0.30

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
SCHEMBL13384043 0.84 DOT1L (0.33) —
SCHEMBL13384046 0.80 — —
SCHEMBL13384048 0.79 P2RY2 (0.43) —
SCHEMBL6243042 0.78 HINT1 (0.50) HINT1TAS1R3TAS1R1HPGDNT5E
SCHEMBL6242507 0.76 HINT1 (0.50) HINT1TAS1R3TAS1R1NT5EKRAS
SCHEMBL25680113 0.76 KDM4E (0.47) HINT1IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL20248707 0.76 KDM4E (0.47) HINT1IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL14896399 0.76 HINT1 (0.49) HINT1TAS1R3TAS1R1HPGDNT5E
SCHEMBL27104282 0.76 KDM4E (0.51) HINT1IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL17589239 0.76 KDM4E (0.37) HINT1TAS1R3TAS1R1

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-20100087634-A1 Fluorous Oligonucleotide Reagents and Affinity Purification of Oligonucleotides BERRY & ASSOCIATES, INC. (US) 2010-04-08 — — 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-20100087634-A1 Fluorous Oligonucleotide Reagents and Affinity Purification of Oligonucleotides DCLRE1B, POLM, FBL HINT1 2874/4885IMPDH2 2798/4885IMPDH1 2607/4885

“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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