SCHEMBL3465813

SCHEMBL3465813

CC[C@H](N)c1nc(C(=O)NC)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
TLR7 Q9NYK1 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ABCB1 P08183 2/20 0.37
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PLK1 P53350 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3465984 0.83 HTR2B (0.40) RAB9ANPC1POLBTLR7HDAC1
SCHEMBL22644581 0.79 TLR7 (0.60) HPGDRAB9ANPC1POLBGAA
SCHEMBL12981149 0.74 PLA2G4A (0.37) RAB9ANPC1GAATLR7HDAC1
SCHEMBL15305212 0.74 ACHE (0.41) HPGDRAB9ANPC1POLBGAA
SCHEMBL10288443 0.72 HPGD (0.51) HPGDRAB9ANPC1POLBGAA
SCHEMBL2643154 0.72 RAB9A (0.57) HPGDRAB9ANPC1POLBGAA
SCHEMBL14844994 0.71 TLR7 (0.58) HPGDPOLBGAATLR7HDAC1
SCHEMBL2642536 0.71 HPGD (0.50) HPGDRAB9ANPC1POLBGAA
SCHEMBL3589352 0.70 MAOA (0.42) HPGDRAB9ANPC1GAATLR7
SCHEMBL3465422 0.70 HDAC1 (0.40) HDAC1HDAC8HDAC6MAPK8MAPK9

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 HPGD 1380/4885RAB9A 2908/4885NPC1 2064/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 HPGD 227/4885RAB9A 2271/4885NPC1 1511/4885

“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.