SCHEMBL23081040

SCHEMBL23081040

COCCn1cc(Nc2nc(N3CCCCC3)cnc2C(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.49
▸ JAK3 P52333 11/20 0.49
▸ LCK P06239 8/20 0.49
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ EGFR P00533 1/20 0.45

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
SCHEMBL18296116 0.85 BTK (0.54) BTKJAK3LCKEGFR
SCHEMBL18884506 0.81 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL23081162 0.78 BTK (0.47) BTKJAK3LCKEGFR
SCHEMBL18296401 0.77 LCK (0.65) BTKJAK3LCKEGFR
SCHEMBL18884514 0.77 BTK (0.70) BTKJAK3LCKEGFR
SCHEMBL19824667 0.77 JAK3 (0.68) BTKJAK3LCKEGFR
SCHEMBL20867957 0.77 JAK3 (0.71) BTKJAK3LCKEGFR
SCHEMBL21946329 0.76 JAK3 (0.60) BTKJAK3LCKEGFR
SCHEMBL18884581 0.76 BTK (0.66) BTKJAK3LCKEGFR
SCHEMBL18283520 0.76 JAK3 (0.63) BTKJAK3LCKEGFR

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 BTK 1/4885JAK3 64/4885LCK 3/4885

“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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