SCHEMBL25523012

SCHEMBL25523012

CC(C)Nc1cc(Br)cnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 4/20 0.39
HCAR3 P49019 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 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
SCHEMBL30371404 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTHCAR3CYP1A2
SCHEMBL17807851 0.82 ALDH1A1 (0.54) SMN1; SMN2MAPTPOLBGAAALDH1A1
SCHEMBL25365605 0.82 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTHCAR3POLB
SCHEMBL31221799 0.82 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTHCAR3POLB
SCHEMBL24923428 0.79 MAPT (0.38) SMN1; SMN2LMNAMAPTHCAR3POLB
SCHEMBL21963842 0.79 MAPT (0.38) SMN1; SMN2LMNAMAPTHCAR3POLB
SCHEMBL21963717 0.79 CYP1A2 (0.35) SMN1; SMN2LMNAMAPTCYP1A2CYP3A4
SCHEMBL30805627 0.79 MAPT (0.38) SMN1; SMN2LMNAMAPTPOLBGAA
SCHEMBL19209883 0.78 MAPT (0.39) SMN1; SMN2LMNAMAPTCYP2C19POLB
SCHEMBL31364909 0.77 MEN1 (0.41) LMNAMAPTHTTMAPK1

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-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-10-05 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 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 (3 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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 SMN1; SMN2 976/4885LMNA 3407/4885MAPT 341/4885
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 SMN1; SMN2 1070/4885LMNA 3414/4885MAPT 217/4885
US-20230312605-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B SMN1; SMN2 1333/4885LMNA 3598/4885MAPT 277/4885

“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.