SCHEMBL19101855

SCHEMBL19101855

Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@](N)(CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 0.43
▸ NPC1 O15118 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ DNMT1 P26358 1/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.32
▸ LCK P06239 1/20 0.30
▸ RET P07949 1/20 0.30
▸ SRC P12931 1/20 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
SCHEMBL24170628 0.90 ADK (0.42) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL18483552 0.87 ADK (0.42) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL31228221 0.87 ADK (0.42) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL19101933 0.86 ADK (0.35) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL19101832 0.82 ADK (0.44) ADKPAX8DNMT1
SCHEMBL18503333 0.82 ADK (0.39) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL31228217 0.82 ADK (0.39) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL18483827 0.79 ALDH1A1 (0.57) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL18483497 0.79 ALDH1A1 (0.57) ADKNPC1GALR3S1PR4ALDH1A1
SCHEMBL18503328 0.79 ALDH1A1 (0.57) ADKNPC1GALR3S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002335-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-01-06 — — US disclosed
US-9701706-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-11 — — 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-20220002335-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ADK 566/4885NPC1 238/4885GALR3 4655/4885

“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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