SCHEMBL16655486

SCHEMBL16655486

C=CC(=O)N1CCC(Oc2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.55
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
BTK Q06187 11/20 0.55
EGFR P00533 9/20 0.55
FGFR2 P21802 3/20 0.50
ATR Q13535 1/20 0.50
ERBB2 P04626 1/20 0.50
BLK P51451 1/20 0.50
FGFR1 P11362 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
PIK3CD O00329 1/20 0.49
TEC P42680 1/20 0.48
TXK P42681 1/20 0.48
BMX P51813 1/20 0.48

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 0.85 JAK2 (0.55) JAK3JAK2JAK1BTKEGFR
SCHEMBL16655526 0.85 JAK2 (0.55) JAK3JAK2JAK1BTKEGFR
SCHEMBL16655608 0.84 JAK2 (0.54) JAK3JAK2JAK1BTKEGFR
SCHEMBL23917245 0.78 JAK3 (0.63) JAK3JAK2JAK1BTKEGFR
SCHEMBL23917257 0.73 JAK2 (0.47) JAK3JAK2JAK1BTKEGFR
SCHEMBL16655634 0.72 ATR (0.66) JAK2BTKATRBLKPIK3CD
SCHEMBL17267664 0.72 JAK2 (0.77) JAK3JAK2JAK1BTKEGFR
SCHEMBL16655467 0.72 PIK3CD (0.75) BTKEGFRATRPIK3CD
SCHEMBL202187 0.71 BTK (1.00) JAK3BTKEGFRFGFR2ERBB2
SCHEMBL16656038 0.70 PIK3CD (0.62) JAK3BTKEGFRATRERBB2

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 3 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

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 JAK3 124/4885JAK2 38/4885JAK1 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.