SCHEMBL25488454

SCHEMBL25488454

CC(C)(C)NCc1cccc(-c2ncco2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ PRMT6 Q96LA8 4/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ ATR Q13535 2/20 0.39
▸ EDNRA P25101 6/20 0.39
▸ EDNRB P24530 5/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL16383003 0.82 HPGDS (0.43) MAPK1PRMT6HPGDSEDNRAEDNRB
SCHEMBL12648428 0.80 NOTUM (0.50) MAPK1PRMT6HPGDSLTA4HHCRTR1
SCHEMBL22501665 0.78 MAPK1 (0.52) MAPK1HPGDSEDNRAEDNRBHCRTR1
SCHEMBL28164766 0.77 HPGDS (0.46) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL9863754 0.77 HPGDS (0.46) MAPK1PRMT6HPGDSEDNRAEDNRB
SCHEMBL1804513 0.77 PRKCI (0.53) MAPK1HPGDSATRLTA4HHCRTR1
SCHEMBL9454674 0.77 HPGDS (0.46) MAPK1PRMT6HPGDSEDNRAEDNRB
SCHEMBL14983820 0.77 HPGDS (0.43) MAPK1PRMT6HPGDSEDNRAEDNRB
SCHEMBL9507339 0.76 HPGDS (0.53) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL3964365 0.76 HPGDS (0.58) HPGDSLTA4H

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-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

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-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 MAPK1 3606/4885DHODH 135/4885PRMT6 3918/4885

“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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