SCHEMBL23917245

SCHEMBL23917245

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.63
BTK Q06187 3/20 0.63
EGFR P00533 2/20 0.63
ERBB2 P04626 1/20 0.63
BLK P51451 1/20 0.63
JAK2 O60674 10/20 0.56
JAK1 P23458 5/20 0.56
FGFR2 P21802 8/20 0.52
FGFR1 P11362 4/20 0.52
FGFR3 P22607 3/20 0.52
FGFR4 P22455 3/20 0.52
KDR P35968 2/20 0.51
TYK2 P29597 1/20 0.49

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
SCHEMBL23917519 0.81 JAK2 (0.56) JAK3BTKEGFRJAK2JAK1
SCHEMBL23917210 0.80 JAK2 (0.55) JAK3BTKEGFRJAK2JAK1
SCHEMBL23917258 0.79 JAK3 (0.53) JAK3BTKEGFRERBB2BLK
SCHEMBL16665790 0.78 JAK3 (0.50) JAK3BTKEGFRERBB2BLK
SCHEMBL16655486 0.78 JAK3 (0.55) JAK3BTKEGFRERBB2BLK
SCHEMBL17267664 0.72 JAK2 (0.77) JAK3BTKEGFRBLKJAK2
SCHEMBL18619685 0.71 JAK2 (0.72) JAK3BTKEGFRJAK2JAK1
SCHEMBL20375306 0.71 JAK2 (0.72) JAK3BTKEGFRJAK2JAK1
SCHEMBL21362286 0.70 PIK3CD (0.54) EGFRKDR
SCHEMBL31523746 0.70 BTK (0.47) JAK3BTKEGFRJAK2JAK1

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 1 patent. 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 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 JAK3 124/4885BTK 1/4885EGFR 828/4885

“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.