SCHEMBL17130323

SCHEMBL17130323

O=C(O)CCC(=O)NCCNc1nc(Nc2cccc(O)c2)nc(Nc2ccc(O)c3ccccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SIRT5 Q9NXA8 3/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL17130325 0.82 IDO1 (0.53) CDC25BTAAR1MEN1POLBRAD52
SCHEMBL18391969 0.78 KCNH3 (0.58) TAAR1MEN1KMT2ARECQLMCL1
SCHEMBL18385065 0.76 KCNH3 (0.46) TAAR1
SCHEMBL25830630 0.76 KCNH3 (0.46) TAAR1
SCHEMBL18391971 0.76 CDC25B (0.48) CDC25BTAAR1CYP3A4MEN1POLB
SCHEMBL13223236 0.76 CDC25B (0.48) CDC25BTAAR1CA12CA1CA2
SCHEMBL12387589 0.76 SYK (0.48) CDC25BTAAR1CYP3A4MEN1POLB
SCHEMBL18385063 0.76 EGFR (0.43) EGFRITK
SCHEMBL17130308 0.76 EGFR (0.43) EGFRITK
SCHEMBL13343929 0.69 KCNH3 (0.40) TAAR1SIRT5SIRT1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701429-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Akamara Therapeutics, Inc. (US) 2020-06-25 — — US disclosed
US-10533059-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2020-01-14 — — US disclosed
US-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 — — US disclosed
WO-2015148126-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-10-01 — — 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 (4 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-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, ADAM8, TIE1 CDC25B 2257/4885TAAR1 2020/4885SIRT5 1575/4885
US-11701429-B2 Targeted drug delivery through affinity based linkers ABCG2, FCGR2A, ABCB1 CDC25B 2120/4885TAAR1 1689/4885SIRT5 1527/4885
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, FCGR2A, ABCB1 CDC25B 2120/4885TAAR1 1689/4885SIRT5 1527/4885
US-10533059-B2 Targeted drug delivery through affinity based linkers ABCG2, ADAM8, TIE1 CDC25B 2257/4885TAAR1 2020/4885SIRT5 1575/4885

“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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