SCHEMBL25823015

SCHEMBL25823015

Cc1nn(-c2ccncc2)c(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KHK P50053 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 2/20 0.32
APEX1 P27695 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
P2RX7 Q99572 1/20 0.31
SRC P12931 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
CACNA1B Q00975 1/20 0.30
AR P10275 1/20 0.30

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 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL25823055 0.86
SCHEMBL25823010 0.85 CYP2E1 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL25824912 0.82 CA12 (0.38)
SCHEMBL25823046 0.80 CA12 (0.36) MEN1KMT2A
SCHEMBL25823053 0.80 CA12 (0.36) P2RX7
SCHEMBL25823026 0.79 P2RX7 (0.38) SMN1; SMN2MEN1KMT2AP2RX7
SCHEMBL25823035 0.78 CYP11B2 (0.35) P2RX7
SCHEMBL25824110 0.78
SCHEMBL25823066 0.77 CCNA2 (0.40) CCNA2CDK2

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 CCNA2 456/4885CDK2 19/4885SMN1; SMN2 1938/4885

“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.