SCHEMBL22180857

SCHEMBL22180857

CC(=O)N1CCC(Cc2nn(C)cc2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CYP46A1 Q9Y6A2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22180827 0.83 HRH3 (0.43) BRD4HDAC3HDAC1HDAC2
SCHEMBL23519498 0.83 HDAC3 (0.33) HDAC3HDAC1HDAC2
SCHEMBL15885816 0.71 NOTUM (0.40) CYP2C9CYP2C19LMNA
SCHEMBL22084126 0.70 GAA (0.37) CYP2C9CYP2C19HDAC3HDAC1HDAC2
SCHEMBL15885998 0.69 LMNA (0.41) KDM4ELMNAMAPT
SCHEMBL12747180 0.67 EPHX2 (0.43) KDM4E
SCHEMBL15885921 0.67 BRS3 (0.37) JAK3JAK2BRD4
SCHEMBL31279028 0.66 RAB9A (0.40) BRD4CYP11B1CYP11B2MAPTGSK3B
SCHEMBL28586308 0.66 RAB9A (0.40) BRD4CYP11B1CYP11B2MAPTGSK3B
SCHEMBL3026559 0.66 CYP2C9 (0.67) CYP2C9CYP2C19HTR2BMAPK14MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236047-B2 Combination of isoindolinone derivatives with SGI-110 ASTEX THERAPEUTICS LIMITED (GB) 2022-02-01 — — US disclosed
US-20200207711-A1 COMBINATION OF ISOINDOLINONE DERIVATIVES WITH SGI-110 ASTEX THERAPEUTICS LIMITED (GB) 2020-07-02 — — 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 (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-11236047-B2 Combination of isoindolinone derivatives with SGI-110 SGK3, SGK2, GDI2 JAK3 1655/4885JAK2 1626/4885JAK1 1644/4885
US-20200207711-A1 COMBINATION OF ISOINDOLINONE DERIVATIVES WITH SGI-110 SGK3, SGK2, GDI2 JAK3 1655/4885JAK2 1626/4885JAK1 1644/4885

“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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