SCHEMBL21898956

SCHEMBL21898956

Cn1c(-c2ccc3cc(NCCN4CCOCC4)ccc3c2)ccc1-c1ccncc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.45
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ MAP3K8 P41279 4/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL19294021 0.91 CHEK1 (0.45) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18221487 0.90 ALDH1A1 (0.49) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24068118 0.85 CHEK1 (0.47) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24068182 0.84 CHEK1 (0.45) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17120730 0.82 LMNA (0.50) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17120701 0.81 PRKCQ (0.42) CHEK1CSNK2A1ALDH1A1HSD17B10CYP1A2
SCHEMBL19294027 0.77 CHEK1 (0.46) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19293993 0.77 CHEK1 (0.47) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17120783 0.77 CYP3A4 (0.62) CHEK1MAP3K8ACHEALDH1A1HSD17B10
SCHEMBL23135012 0.73 PIM1 (0.40) CHEK1LMNAMAPTHTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208916-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME Amydis, Inc. 2024-06-27 — — US disclosed
US-11718596-B2 Amyloid targeting agents and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 — — US disclosed
EP-3119761-B1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME AMYDIS DIAGNOSTICS INC (US) 2023-06-07 — — EP disclosed
US-20210371390-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME Amydis, Inc. 2021-12-02 — — US disclosed
US-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY Amydis, Inc. 2021-12-02 — — US disclosed
US-10934264-B2 Amyloid targeting agents and methods of using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-02 — — US disclosed
US-20200123118-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-04-23 — — 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 (6 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-11718596-B2 Amyloid targeting agents and methods of using the same APP, CRYAA, APBA1 CHEK1 4436/4885PIK3CD 4100/4885PIK3CA 4660/4885
US-20200123118-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, CRYAA, APBA1 CHEK1 4436/4885PIK3CD 4100/4885PIK3CA 4660/4885
US-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY S100B, FABP7, CRYAB CHEK1 1276/4885PIK3CD 1264/4885PIK3CA 1944/4885
US-20210371390-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, CRYAA, APBA1 CHEK1 4436/4885PIK3CD 4100/4885PIK3CA 4660/4885
US-20240208916-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME APP, CRYAA, APBA1 CHEK1 4436/4885PIK3CD 4100/4885PIK3CA 4660/4885
US-10934264-B2 Amyloid targeting agents and methods of using the same APP, CRYAA, APBA1 CHEK1 4436/4885PIK3CD 4100/4885PIK3CA 4660/4885

“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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