SCHEMBL24766538

SCHEMBL24766538

CCOC(=O)[C@H](C)[C@@H](C)c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.47
▸ PIK3CA P42336 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DGAT1 O75907 3/20 0.39
▸ SOAT1 P35610 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 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
SCHEMBL24766541 0.83 AKT1 (0.51) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL24766022 0.73 AKT1 (0.46) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL29434092 0.73 AKT1 (0.46) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL24766463 0.72 CYP1A2 (0.50) PIK3CATDP1KMT2AMEN1NPC1
SCHEMBL29434148 0.72 CYP1A2 (0.50) PIK3CATDP1KMT2AMEN1NPC1
SCHEMBL24766540 0.72 AKT1 (0.45) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL24766575 0.72 AKT1 (0.45) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL5214322 0.72 PIK3CA (0.56) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL12983551 0.71 PIK3CA (0.55) AKT1PIK3CATSHRUSP2TDP1
SCHEMBL17204101 0.70 MAPT (0.61) TSHRKMT2AMEN1NPC1RAB9A

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-11407737-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2022-08-09 — — 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-11407737-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF AKT1 38/4885PIK3CA 61/4885TSHR 1226/4885

“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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