SCHEMBL20067552

SCHEMBL20067552

CNCCN(CCO)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ACHE P22303 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL16081620 0.87 ATM (0.54) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL79747 0.85 HTT (0.62) HTTALDH1A1LMNAHSD17B10TSHR
SCHEMBL11402252 0.84 HRH3 (0.53) HSD17B10TSHRMEN1KMT2AATM
Alcohol SCHEMBL2794145 0.83 TSHR (0.58) HTTALDH1A1LMNAHSD17B10TSHR
SCHEMBL9320386 0.83 HTT (0.66) HTTALDH1A1LMNAHSD17B10TSHR
Hydrochloric Acid SCHEMBL2313460 0.83 HTT (0.61) HTTALDH1A1LMNAHSD17B10TSHR
Bromide SCHEMBL15391224 0.83 HTT (0.61) HTTALDH1A1LMNAHSD17B10TSHR
Water SCHEMBL28303092 0.83 HTT (0.61) HTTALDH1A1LMNAHSD17B10TSHR
SCHEMBL21969730 0.83 CARM1 (0.53) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL15466880 0.82 MAOB (0.50) TSHRKDM4EATMTAAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20200297859-A1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF BYONDIS B.V. (NL) 2020-09-24 US disclosed
EP-3525826-B1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF BYONDIS BV (NL) 2020-07-22 EP disclosed
WO-2018069375-A1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-04-19 WO 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 HTT 3542/4885ALDH1A1 226/4885LMNA 4510/4885
US-20200297859-A1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF DLST, ADSL, LANCL1 HTT 633/4885ALDH1A1 574/4885LMNA 868/4885

“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.