SCHEMBL18503328

SCHEMBL18503328

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTT P42858 4/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
GALR3 O60755 1/20 0.57
S1PR4 O95977 1/20 0.57
S1PR1 P21453 1/20 0.57
PAX8 Q06710 1/20 0.57
ADK P55263 2/20 0.52
TP53 P04637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
BLM P54132 2/20 0.48
LMNA P02545 2/20 0.48
MTOR P42345 2/20 0.48
GMNN O75496 1/20 0.48
NFKB1 P19838 1/20 0.48
DNMT1 P26358 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL18483497 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL18486863 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL31231549 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL18488755 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL18438961 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL18483827 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL19317789 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
SCHEMBL31231548 1.00 ALDH1A1 (0.57) ALDH1A1HTTMAPTRAB9ANPC1
Water SCHEMBL20840353 0.99 ALDH1A1 (0.56) ALDH1A1HTTMAPTRAB9ANPC1
Water SCHEMBL20840355 0.99 ALDH1A1 (0.56) ALDH1A1HTTMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION CHIMERIX, INC. (US) 2024-06-27 US disclosed
US-20220002335-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-01-06 US disclosed
US-10941175-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2021-03-09 US disclosed
US-20200199167-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2020-06-25 US disclosed
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-09-07 US disclosed
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-09-07 US disclosed
US-9708359-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-18 US disclosed
US-9708359-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-18 US disclosed
US-9701706-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-11 US disclosed
US-9701706-B2 Pyrrolopyrimidine nucleosides and analogs thereof CHIMERIX, INC. (US) 2017-07-11 US disclosed
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-05-18 US disclosed
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-05-18 US disclosed
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-02-16 US disclosed
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2017-02-16 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 (7 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-20200199167-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ALDH1A1 776/4885HTT 3876/4885MAPT 3376/4885
US-20220002335-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ALDH1A1 776/4885HTT 3876/4885MAPT 3376/4885
US-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ALDH1A1 776/4885HTT 3876/4885MAPT 3376/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD ALDH1A1 776/4885HTT 3876/4885MAPT 3376/4885
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, ITPA, IMPDH1 ALDH1A1 1417/4885HTT 3002/4885MAPT 2196/4885
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION PNP, ACE2, TYMP ALDH1A1 871/4885HTT 1544/4885MAPT 2238/4885
US-10941175-B2 Pyrrolopyrimidine nucleosides and analogs thereof TYMP, PNP, DPYD ALDH1A1 776/4885HTT 3876/4885MAPT 3376/4885

“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.