SCHEMBL14790967

SCHEMBL14790967

CC(C)C(=O)N1CC(C#N)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ CHRNB3 Q05901 1/20 0.52
▸ CHRNA6 Q15825 1/20 0.52
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 6/20 0.37
▸ JAK3 P52333 6/20 0.37
▸ HCRTR2 O43614 3/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ DPP4 P27487 7/20 0.35
▸ TYK2 P29597 2/20 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
SCHEMBL27023123 0.85 JAK1 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2455912 0.84 DPP4 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28132789 0.84 DPP4 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL14737849 0.82 DPP4 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9901341 0.81 DPP4 (0.50) HCRTR2DPP4
SCHEMBL16665410 0.81 JAK2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19652203 0.80 MEN1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22735781 0.78 JAK2 (0.45) JAK2JAK1JAK3TYK2
SCHEMBL15203524 0.77 DPP4 (0.56) HCRTR2DPP4
SCHEMBL14655442 0.76 DPP4 (0.51) JAK2JAK1JAK3DPP4TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 — — US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — US disclosed
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-02-25 — — US disclosed
US-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-04-25 — — US disclosed
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2017-12-28 — — US disclosed
US-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 — — US disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 — — US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — 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 (7 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-20190119211-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CHRNB2 2374/4885CHRNA3 4357/4885CHRNA4 4659/4885
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CHRNB2 2374/4885CHRNA3 4357/4885CHRNA4 4659/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CHRNB2 4883/4885CHRNA3 4874/4885CHRNA4 4878/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CHRNB2 4849/4885CHRNA3 4751/4885CHRNA4 4791/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA CHRNB2 1582/4885CHRNA3 2152/4885CHRNA4 1812/4885
US-20170369443-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CHRNB2 2374/4885CHRNA3 4357/4885CHRNA4 4659/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 CHRNB2 4849/4885CHRNA3 4751/4885CHRNA4 4791/4885

“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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