SCHEMBL17545872

SCHEMBL17545872

O=C(CNc1cccc(F)c1)N1CCC[C@H](Nc2ncnc3[nH]ncc23)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.70
PAK1 Q13153 5/20 0.53
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50

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
SCHEMBL17527422 0.90 BTK (0.80) BTKPAK1
SCHEMBL17527421 0.90 BTK (0.80) BTKPAK1
SCHEMBL17527340 0.90 BTK (0.71) BTKPAK1
SCHEMBL17527343 0.90 BTK (0.71) BTKPAK1
SCHEMBL17546116 0.90 BTK (0.73) BTKPAK1
SCHEMBL17545870 0.90 BTK (0.80) BTKPAK1
SCHEMBL17545852 0.88 BTK (0.82) BTK
SCHEMBL17545882 0.88 BTK (0.84) BTKPAK1
SCHEMBL17545869 0.86 BTK (0.79) BTKPAK1
SCHEMBL17545868 0.85 BTK (0.65) BTKPAK1

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK BTK 4/4885PAK1 133/4885MAPK1 302/4885

“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.