SCHEMBL25824388

SCHEMBL25824388

Cc1nn(-c2ccc(Cc3ccccc3)nc2)c(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33
CYP3A4 P08684 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FYN P06241 1/20 0.32
LTA4H P09960 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL25823078 0.83 DGAT1 (0.41) NPC1RAB9ADGAT1SMN1; SMN2
SCHEMBL25824185 0.80 NPC1 (0.36) NPC1RAB9AMEN1KMT2ADGAT1
SCHEMBL25823019 0.80 SMN1; SMN2 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL25824110 0.78
SCHEMBL25823025 0.78 LPL (0.31)
SCHEMBL25823021 0.76 P2RX7 (0.38) MEN1KMT2ADGAT1
SCHEMBL25823043 0.76 DGAT1 (0.44) NPC1RAB9ADGAT1SMN1; SMN2
SCHEMBL25823165 0.75 USP14 (0.32)
SCHEMBL25823010 0.74 CYP2E1 (0.36) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL25823015 0.72 CCNA2 (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-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 NPC1 3864/4885RAB9A 2922/4885MEN1 2825/4885

“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.