SCHEMBL19294653

SCHEMBL19294653

CC[C@@H](C)c1c(Cl)ncnc1Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL16624814 0.86 SELE (0.35) SELEVCAM1
SCHEMBL24227162 0.86 SELE (0.35) SELEVCAM1
SCHEMBL19294656 0.86 ADORA3 (0.33)
SCHEMBL17639118 0.80
SCHEMBL3794331 0.79 SELE (0.32) SELEVCAM1
SCHEMBL19294662 0.78 TSHR (0.33) SELEVCAM1
SCHEMBL10079981 0.73
SCHEMBL20977931 0.72 SELE (0.34) SELEVCAM1
SCHEMBL2800108 0.68 SELE (0.31) SELEVCAM1
SCHEMBL310462 0.68 RECQL (0.39) SELEVCAM1

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-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 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-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 SELE 4661/4885VCAM1 3713/4885

“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.