SCHEMBL25908403

SCHEMBL25908403

NCC1CCN(c2cc(O)cc(C(=O)Nc3cnc4nc(N5CCOCC5)sc4c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MAPT P10636 3/20 0.37
GSK3B P49841 1/20 0.37
PLAU P00749 1/20 0.37
MAPK14 Q16539 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
LRRK2 Q5S007 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 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
SCHEMBL29505200 0.91 PLAU (0.45) HRH3PLAUMAPK14RAF1BRAF
SCHEMBL16896364 0.91 PLAU (0.45) HRH3PLAUMAPK14RAF1BRAF
SCHEMBL28375017 0.82 PLAU (0.42) HRH3PLAUMAPK14RAF1BRAF
SCHEMBL16896444 0.82 HRH3 (0.45) HRH3PLAUMAPK14RAF1BRAF
SCHEMBL29505292 0.80 HRH3 (0.47) HRH3IRAK1IRAK4RAB9ANPC1
SCHEMBL16896607 0.80 HRH3 (0.47) HRH3IRAK1IRAK4RAB9ANPC1
Hydrochloric Acid SCHEMBL16896479 0.80 HRH3 (0.46) HRH3IRAK1IRAK4RAB9ANPC1
Hydrochloric Acid SCHEMBL29505368 0.80 HRH3 (0.46) HRH3IRAK1IRAK4RAB9ANPC1
SCHEMBL30461103 0.78 MAPK14 (0.42) HRH3PLAUMAPK14RAF1BRAF
SCHEMBL28378947 0.78 MAPK14 (0.42) HRH3PLAUMAPK14RAF1BRAF

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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 HRH3 3945/4885IRAK1 3/4885IRAK4 1/4885

“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.