SCHEMBL5028506

SCHEMBL5028506

CCC(Br)Cc1ccc(Nc2cc(-c3ncco3)ccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.45
MAPKAPK2 P49137 1/20 0.34
LTA4H P09960 1/20 0.32
IL2 P60568 1/20 0.32
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
TRPM4 Q8TD43 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
TTK P33981 1/20 0.31
SCARB1 Q8WTV0 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
Hydrochloric Acid SCHEMBL5033017 0.85 P2RX7 (0.41) P2RX7MAPKAPK2LTA4HIL2
SCHEMBL5034948 0.78 P2RX7 (0.52) P2RX7LTA4HIL2TRPM4
SCHEMBL5027378 0.66 IL2 (0.44) P2RX7LTA4HIL2
SCHEMBL18930006 0.66 NPC1 (0.46) P2RX7LTA4HIL2CHRNA7CHRNA10
SCHEMBL13625433 0.65 LTA4H (0.46) LTA4HCHRNA7CHRNA10CHRNA9HSD17B10
SCHEMBL1459892 0.65 NPC1 (0.44) P2RX7LTA4HIL2CHRNA7CHRNA10
SCHEMBL5033022 0.65 IL2 (0.48) LTA4HIL2HSD17B10
SCHEMBL8232402 0.64 IL2 (0.44) P2RX7LTA4HIL2CHRNA7CHRNA10
SCHEMBL5030643 0.64 CIT (0.46) IL2
SCHEMBL5033044 0.64 IL2 (0.42) P2RX7LTA4HIL2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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 (2 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 P2RX7 257/4885MAPKAPK2 2813/4885LTA4H 122/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 P2RX7 257/4885MAPKAPK2 2813/4885LTA4H 122/4885

“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.