SCHEMBL20053548

SCHEMBL20053548

Nc1ncnc(N2CC[C@H](C(=O)O)[C@@H](N)C2)c1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.43
NEK2 P51955 6/20 0.42
RET P07949 1/20 0.42
ACACB O00763 1/20 0.36
RPS6KB1 P23443 2/20 0.35

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
SCHEMBL16786559 1.00 BTK (0.43) BTKNEK2RETACACBRPS6KB1
SCHEMBL16786558 1.00 BTK (0.43) BTKNEK2RETACACBRPS6KB1
SCHEMBL16765220 1.00 BTK (0.43) BTKNEK2RETACACBRPS6KB1
SCHEMBL16786567 1.00 BTK (0.43) BTKNEK2RETACACBRPS6KB1
SCHEMBL16786557 0.89 BTK (0.41) BTKRETACACB
SCHEMBL16786552 0.89 BTK (0.41) BTKRETACACB
SCHEMBL25668037 0.86 NEK2 (0.49) BTKNEK2RETACACB
SCHEMBL25667215 0.83 BTK (0.38) BTKRETACACB
SCHEMBL25667210 0.83 BTK (0.38) BTKRETACACB
SCHEMBL16681131 0.82 BTK (0.48) BTKRETRPS6KB1

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-20210017155-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-01-21 US disclosed
EP-3753934-A1 PYRIMIDINYL DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2020-12-23 EP disclosed
EP-2858499-B1 PYRIMIDINYL TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-05-16 EP disclosed
US-9944622-B2 Pyrimidinyl tyrosine kinase inhibitors BIOGEN MA INC. (US) 2018-04-17 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-20210017155-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 BTK 2/4885NEK2 324/4885RET 184/4885

“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.