SCHEMBL16655608

SCHEMBL16655608

C=CC(=O)N1CCC(Sc2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.54
JAK3 P52333 3/20 0.54
JAK1 P23458 1/20 0.54
EGFR P00533 8/20 0.52
BTK Q06187 6/20 0.52
ATR Q13535 2/20 0.49
PIK3CD O00329 1/20 0.48
FGFR2 P21802 3/20 0.48
FGFR1 P11362 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
NUDT14 O95848 1/20 0.47

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
SCHEMBL16655576 0.84 JAK2 (0.55) JAK2JAK3JAK1EGFRBTK
SCHEMBL16655486 0.84 JAK3 (0.55) JAK2JAK3JAK1EGFRBTK
SCHEMBL16655526 0.84 JAK2 (0.55) JAK2JAK3JAK1EGFRBTK
SCHEMBL23917210 0.78 JAK2 (0.55) JAK2JAK3JAK1EGFRBTK
SCHEMBL23917257 0.73 JAK2 (0.47) JAK2JAK3JAK1EGFRBTK
SCHEMBL16655634 0.72 ATR (0.66) JAK2BTKATRPIK3CD
SCHEMBL17267664 0.71 JAK2 (0.77) JAK2JAK3JAK1EGFRBTK
SCHEMBL16656038 0.70 PIK3CD (0.62) JAK3EGFRBTKATRPIK3CD
SCHEMBL13308581 0.70 EGFR (0.89) JAK2JAK3JAK1EGFRBTK
SCHEMBL16655658 0.70 ATR (0.71) BTKATRPIK3CD

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO 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 (1 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB JAK2 38/4885JAK3 124/4885JAK1 103/4885

“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.