SCHEMBL29741894

SCHEMBL29741894

CN1CCN(c2cccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.39
▸ MAP4K1 Q92918 1/20 0.37
▸ HTR3E A5X5Y0 3/20 0.37
▸ HTR3B O95264 3/20 0.37
▸ HTR3A P46098 3/20 0.37
▸ HTR3D Q70Z44 3/20 0.37
▸ HTR3C Q8WXA8 3/20 0.37
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ TEC P42680 1/20 0.33
▸ BMX P51813 1/20 0.33
▸ SLK Q9H2G2 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
SCHEMBL14913211 1.00 BTK (0.39) BTKMAP4K1HTR3EHTR3BHTR3A
SCHEMBL29741963 0.82 BTK (0.47) BTKMAP4K1KCNH2YES1FGR
SCHEMBL1725566 0.82 BTK (0.47) BTKMAP4K1KCNH2YES1FGR
SCHEMBL14913184 0.79 HTR3A (0.43) BTKMAP4K1HTR3EHTR3BHTR3A
SCHEMBL31158079 0.79 HTR3A (0.43) BTKMAP4K1HTR3EHTR3BHTR3A
SCHEMBL29741917 0.77 MEN1 (0.39) BTK
SCHEMBL14925959 0.77 MEN1 (0.39) BTK
SCHEMBL14912419 0.76 PIK3C3 (0.37) BTK
SCHEMBL24374749 0.75 BTK (0.37) BTK
SCHEMBL14929628 0.75 BTK (0.38) BTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885MAP4K1 85/4885HTR3E 1679/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885MAP4K1 85/4885HTR3E 1679/4885

“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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