SCHEMBL18503255

SCHEMBL18503255

CC(C)(C)CCOCCCCCCCCCCCCCCCn1cccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM1 P11229 1/20 0.31
GBA2 Q9HCG7 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL18503251 1.00 HRH3 (0.36) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL18503335 0.93 HRH3 (0.36) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL18503212 0.93 HRH3 (0.36) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL18511898 0.79 TBXAS1 (0.58) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL18503178 0.79 TBXAS1 (0.58) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL18511806 0.79 TBXAS1 (0.58) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL18503257 0.79 TBXAS1 (0.58) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL11988221 0.76 TP53 (0.36)
SCHEMBL28828285 0.76 TP53 (0.39) HRH3MEN1KMT2A
SCHEMBL25939787 0.74 HRH3 (0.44) HRH3MEN1KMT2AHTT

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 6 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-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-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-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 (4 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-20170137454-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD HRH3 4426/4885MEN1 3288/4885KMT2A 3764/4885
US-20170253628-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, PNP, DPYD HRH3 4426/4885MEN1 3288/4885KMT2A 3764/4885
US-20170044202-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF TYMP, ITPA, IMPDH1 HRH3 4431/4885MEN1 3416/4885KMT2A 3698/4885
US-20240207299-A1 PYRROLOPYRIMIDINE NUCLEOSIDES FOR TREATING OR PREVENTING A SARS-COV-2 INFECTION PNP, ACE2, TYMP HRH3 4439/4885MEN1 4367/4885KMT2A 2870/4885

“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.