SCHEMBL26412829

SCHEMBL26412829

COC(=O)c1cnc(CBr)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL20330407 0.87 ATM (0.54) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL26412821 0.86 CYP2C9 (0.50) LMNACYP4F2CYP4A11CA12CA1
SCHEMBL17957494 0.84 MAPK1 (0.47) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL23167437 0.83 MAPK1 (0.42) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL21660272 0.83 MAPT (0.43) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL24214165 0.83 MAPK1 (0.42) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL28088440 0.81 AGBL2 (0.44) KDM4EMAPTGABRA5ALDH1A1POLB
SCHEMBL15582693 0.79 GAA (0.42) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL487571 0.78 ATM (0.51) ATMKDM4EMAPK1L3MBTL1MAPT
SCHEMBL15350304 0.78 ATM (0.42) ATMKDM4EMAPK1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — 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-20230131192-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 ATM 252/4885KDM4E 2215/4885MAPK1 339/4885

“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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