SCHEMBL3465375

SCHEMBL3465375

CC[C@H](N)c1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
HTR7 P34969 2/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
SLC6A4 P31645 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL2767354 1.00 IRAK4 (0.42) IRAK4HTR7HTR2AHTR1ADRD2
SCHEMBL522830 0.86 IRAK4 (0.40) IRAK4HTR2ASLC6A4HTR2CHTR2B
SCHEMBL17449413 0.85 IRAK4 (0.37) IRAK4HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL17764544 0.84 IRAK4 (0.37) IRAK4HTR7HTR2AHTR1ADRD2
SCHEMBL18766036 0.81 IRAK4 (0.36) IRAK4HTR7HTR2AHTR1ADRD2
SCHEMBL24713780 0.80 IRAK4 (0.43) IRAK4HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL17764407 0.79 IRAK4 (0.36) IRAK4HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL17764408 0.79 IRAK4 (0.36) IRAK4HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL31592712 0.79 IRAK4 (0.36) IRAK4HTR7HTR2AHTR1ADRD2
SCHEMBL15354786 0.78 IRAK4 (0.49) IRAK4HTR7HTR2AHTR1ADRD2

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 IRAK4 548/4885HTR7 1830/4885HTR2A 3250/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 IRAK4 134/4885HTR7 2158/4885HTR2A 3700/4885

“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.