SCHEMBL25396356

SCHEMBL25396356

C[C@@H](N)COc1nccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
CNR2 P34972 9/20 0.38
CLK1 P49759 1/20 0.37
CNR1 P21554 4/20 0.37
CDC7 O00311 1/20 0.36
KMT2A Q03164 3/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
PDE4D Q08499 1/20 0.36
PTK2 Q05397 1/20 0.35

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
SCHEMBL25396358 1.00 KDR (0.40) KDRCNR2CLK1CNR1CDC7
SCHEMBL5989853 0.80 ALDH1A1 (0.46) KDRCNR2KMT2AALDH1A1MEN1
SCHEMBL25395944 0.78 PPARG (0.39) ALDH1A1MAPT
SCHEMBL25395939 0.78 PPARG (0.39) ALDH1A1MAPT
SCHEMBL5990018 0.72 CDC7 (0.47) CLK1CDC7KMT2AACHEALDH1A1
SCHEMBL10967877 0.72 ALDH1A1 (0.46) CDC7KMT2AACHEALDH1A1MEN1
SCHEMBL8605149 0.70 GAA (0.56) ALDH1A1MAPT
SCHEMBL31513055 0.69 HTT (0.45) KMT2AALDH1A1MEN1MAPT
SCHEMBL6196774 0.69 MEN1 (0.44) CDC7KMT2AALDH1A1MEN1MAPT
SCHEMBL30573352 0.69 PARG (0.47) CDC7KMT2AALDH1A1MEN1MAPT

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-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2025-07-03 US disclosed
EP-4493562-A1 TYK2 INHIBITORS AND USES THEREOF Alumis Inc. (US) 2025-01-22 EP disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 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-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 KDR 2598/4885CNR2 1940/4885CLK1 960/4885

“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.