SCHEMBL25823010

SCHEMBL25823010

Cc1nn(-c2cccnc2)c(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.35
GRM1 Q13255 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ELANE P08246 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL25823019 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL25823015 0.85 CCNA2 (0.38) ARSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL25823055 0.83
SCHEMBL25824912 0.79 CA12 (0.38)
SCHEMBL25823026 0.79 P2RX7 (0.38) CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL25823025 0.78 LPL (0.31)
SCHEMBL25823060 0.78 CHRNB4 (0.33)
SCHEMBL25823035 0.78 CYP11B2 (0.35)
SCHEMBL25823033 0.77 P2RX7 (0.34) MAPTKDM4ENPSR1
SCHEMBL25823066 0.77 CCNA2 (0.40)

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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 CYP2E1 3753/4885CYP2A6 2976/4885CYP3A4 3195/4885

“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.