SCHEMBL29318376

SCHEMBL29318376

CN(Cc1nc2ccccc2n1C)C1CCCc2cccnc21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.76
KCNH2 Q12809 1/20 0.53

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
SCHEMBL14228016 0.87 CXCR4 (0.80) CXCR4KCNH2
SCHEMBL4936270 0.87 CXCR4 (0.90) CXCR4KCNH2
SCHEMBL4936686 0.86 CXCR4 (1.00) CXCR4KCNH2
SCHEMBL4940042 0.86 CXCR4 (0.83) CXCR4KCNH2
SCHEMBL4932260 0.86 CXCR4 (1.00) CXCR4KCNH2
SCHEMBL14275068 0.86 CXCR4 (0.65) CXCR4KCNH2
SCHEMBL4938164 0.86 CXCR4 (0.77) CXCR4KCNH2
SCHEMBL4938814 0.86 CXCR4 (0.83) CXCR4KCNH2
SCHEMBL4939469 0.86 CXCR4 (1.00) CXCR4KCNH2
SCHEMBL4935692 0.85 CXCR4 (0.76) CXCR4KCNH2

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-20240238244-A1 USE OF A COMPOUND SUCH AS PLERIXAFOR FOR TREATING A VIRAL PULMONARY DISEASE 4LIVING BIOTECH (FR) 2024-07-18 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-20240238244-A1 USE OF A COMPOUND SUCH AS PLERIXAFOR FOR TREATING A VIRAL PULMONARY DISEASE CCL11, CXCR1, REN CXCR4 12/4885KCNH2 1724/4885

“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.