SCHEMBL17827637

SCHEMBL17827637

CCOC(=O)c1ncccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
BRD4 O60885 1/20 0.47
METAP1 P53582 1/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18395687 0.85 L3MBTL1 (0.57) BRD4MAPTGAAL3MBTL1ALDH1A1
SCHEMBL7958507 0.78 HPGD (0.55) METAP1MAPTNPSR1GAAHRH3
SCHEMBL16149125 0.75 BRD4 (0.55) BRD4NPC1GABRA1GABRG2GABRB3
SCHEMBL7334443 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPSR1GAAL3MBTL1
SCHEMBL7403379 0.73 SMN1; SMN2 (0.55) SMN1; SMN2GAAHRH3L3MBTL1ALDH1A1
SCHEMBL8631155 0.72 SMN1; SMN2 (0.44) SMN1; SMN2METAP1NPC1GAAHRH3
SCHEMBL7399702 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL6374844 0.72 RAB9A (0.66) METAP1NPC1MAPTNPSR1ALDH1A1
SCHEMBL7242387 0.72 MAPT (0.57) METAP1MAPTNPSR1GAAL3MBTL1
SCHEMBL7398335 0.71 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNPSR1ITGB3ITGA2B

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
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR SMN1; SMN2 608/4885BRD4 65/4885METAP1 1812/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR SMN1; SMN2 608/4885BRD4 65/4885METAP1 1812/4885

“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.