SCHEMBL25823019

SCHEMBL25823019

Cc1nn(-c2ccccc2)c(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL25823015 0.88 CCNA2 (0.38) SMN1; SMN2NPSR1KDM4EMAPTALDH1A1
SCHEMBL25823010 0.85 CYP2E1 (0.36) SMN1; SMN2NPSR1KDM4EMAPTALDH1A1
SCHEMBL25823055 0.80
SCHEMBL25824185 0.80 NPC1 (0.36) SMN1; SMN2NPSR1KDM4EMAPTALDH1A1
SCHEMBL25824388 0.80 NPC1 (0.36) SMN1; SMN2NPSR1KDM4EMAPTALDH1A1
SCHEMBL25824110 0.78
SCHEMBL25823025 0.78 LPL (0.31) LMNALPLLIPG
SCHEMBL25823033 0.77 P2RX7 (0.34) NPSR1KDM4EMAPT
SCHEMBL25823074 0.76 IRAK4 (0.33) CYP1A2LPLLIPG
SCHEMBL14857687 0.75 KDM4E (0.52) NPSR1KDM4EMAPTALDH1A1POLB

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 SMN1; SMN2 1938/4885NPSR1 4818/4885KDM4E 2156/4885

“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.