SCHEMBL22101991

SCHEMBL22101991

CN/C(S)=N/N=C(C(=N/N=C(\S)NC)/c1ccc(F)cc1)\c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ POLB P06746 2/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NR3C2 P08235 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
SCHEMBL22101954 0.90 GAA (0.37) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL22101997 0.85 ESR1 (0.41) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL22101637 0.85 GAA (0.33) ALDH1A1POLBTDP1
SCHEMBL22101605 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL22101609 0.84 POLB (0.44) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL22101672 0.84 ITGA1 (0.36) ALDH1A1TDP1
SCHEMBL22101585 0.84 METTL3 (0.34) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL22101642 0.84 TSHR (0.41) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL22101670 0.84 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL22101640 0.84 TSHR (0.45) KMT2AMEN1ALDH1A1CYP2C9NPC1

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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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 (2 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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU KMT2A 1051/4885MEN1 902/4885ALDH1A1 293/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU KMT2A 1051/4885MEN1 902/4885ALDH1A1 293/4885

“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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