SCHEMBL25629250

SCHEMBL25629250

Cn1ncc(C(=O)O)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NR4A3 Q92570 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 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
SCHEMBL1841526 0.85 MAPK1 (0.37) KDM4EALDH1A1TDP1SMN1; SMN2CYP11B2
SCHEMBL10365692 0.77 KDM4E (0.34) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2
SCHEMBL19780118 0.74 ALDH1A1 (0.33) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2
SCHEMBL10890676 0.73 RAB9A (0.49) ALDH1A1TDP1NR4A3SMN1; SMN2TSHR
SCHEMBL10720763 0.73 ALDH1A1 (0.39) KDM4EALDH1A1NR4A3SMN1; SMN2XDH
SCHEMBL6963674 0.73 POLB (0.55) KDM4EALDH1A1NR4A3SMN1; SMN2XDH
SCHEMBL966692 0.72 KDM4E (0.41) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2
SCHEMBL7722135 0.72 KDM4E (0.41) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2
SCHEMBL68535 0.72 PDE10A (0.41) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2
SCHEMBL1663553 0.72 SMN1; SMN2 (0.50) KDM4EALDH1A1TDP1NR4A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 — — US disclosed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 — — 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-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS CA9, CA13, CA4 KDM4E 2877/4885ALDH1A1 4281/4885TDP1 4334/4885

“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.

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