SCHEMBL20455437

SCHEMBL20455437

CC(C)CC(CO)Nc1nc(SC(C)c2ccc(F)cc2)nc2nc(N)sc12

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 20/20 0.82
CXCR2 P25025 18/20 0.82
ADORA1 P30542 1/20 0.82

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
SCHEMBL18312507 1.00 CX3CR1 (0.82) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL29473543 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL212398 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL212862 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL213194 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL23528828 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL31643602 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL30914151 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL30914115 0.90 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL23828002 0.90 CX3CR1 (0.98) CX3CR1CXCR2ADORA1

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-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-09 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-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) CX3CR1, CXCR3, CXCR5 CX3CR1 1/4885CXCR2 15/4885ADORA1 441/4885

“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.