SCHEMBL25877969

SCHEMBL25877969

CC1(Nc2cnc(N)cc2[N+](=O)[O-])COC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
EGFR P00533 3/20 0.36
ABL1 P00519 2/20 0.35
MAPT P10636 8/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
IDO1 P14902 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
AHR P35869 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL30472225 0.90 ABL1 (0.36) CYP1A2CYP2C9CYP2C19EGFRABL1
SCHEMBL25877783 0.85 ALDH1A1 (0.34) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL25877966 0.80 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19EGFRMAPT
SCHEMBL25877795 0.75 LATS1 (0.41) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL25877973 0.74 GSK3B (0.39) CYP1A2MAPTMEN1KMT2APOLB
SCHEMBL25877536 0.72 KDM4E (0.44) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL25877901 0.72 ALDH1A1 (0.50) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL25877386 0.71 MAPK1 (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL25877480 0.69 MAPT (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL8564866 0.69 EGFR (0.41) CYP1A2CYP2C9CYP2C19EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B CYP1A2 4019/4885CYP2C9 3750/4885CYP2C19 3558/4885

“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.