SCHEMBL23080834

SCHEMBL23080834

C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.48
▸ LCK P06239 3/20 0.48
▸ EGFR P00533 2/20 0.48
▸ BTK Q06187 2/20 0.44
▸ LRRK2 Q5S007 2/20 0.43
▸ SYK P43405 1/20 0.40
▸ FER P16591 1/20 0.36
▸ PIK3CD O00329 3/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL23081111 0.87 JAK3 (0.48) JAK3LCKEGFRBTKLRRK2
SCHEMBL18283775 0.83 JAK3 (0.54) JAK3LCKEGFRBTK
SCHEMBL23081221 0.83 JAK3 (0.45) JAK3LCKEGFRBTKLRRK2
SCHEMBL18283585 0.82 JAK3 (0.65) JAK3LCKEGFRBTKSYK
SCHEMBL28857028 0.81 RET (0.47) JAK3LCKEGFRBTKPIK3CD
SCHEMBL18283764 0.79 JAK3 (0.51) JAK3LCKEGFRBTK
SCHEMBL18283449 0.78 JAK3 (0.47) JAK3LCKEGFRBTKJAK2
SCHEMBL18296278 0.78 JAK3 (0.53) JAK3LCKEGFRBTKJAK2
SCHEMBL18296104 0.78 PIK3CD (0.50) JAK3LCKBTKPIK3CDPIK3R1
SCHEMBL23081017 0.77 JAK3 (0.61) JAK3LCKEGFRBTKLRRK2

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK JAK3 64/4885LCK 3/4885EGFR 705/4885

“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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