SCHEMBL20697244

SCHEMBL20697244

CCC(C)Nc1cccc(N2CCOC2=O)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 15/20 0.54
▸ TYK2 P29597 1/20 0.44
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ ELANE P08246 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
SCHEMBL20697242 0.87 IDH1 (0.58) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20688041 0.80 IDH1 (0.50) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL22421824 0.77 IDH1 (0.46) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20889875 0.76 IDH1 (0.44) IDH1TYK2
SCHEMBL20890070 0.75 IDH1 (0.48) IDH1TYK2PIK3CDPIK3CAPIK3CB
SCHEMBL20909898 0.73 RECQL (0.50) IDH1TYK2
SCHEMBL20689588 0.71 TYK2 (0.45) IDH1TYK2
SCHEMBL31262446 0.71 TYK2 (0.45) IDH1TYK2
SCHEMBL17603736 0.71 IDH1 (1.00) IDH1
SCHEMBL17603739 0.71 IDH1 (1.00) IDH1

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-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 — — US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 — — 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IDH1 2497/4885TYK2 1/4885PIK3CD 961/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IDH1 2497/4885TYK2 1/4885PIK3CD 961/4885

“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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