SCHEMBL17827699

SCHEMBL17827699

COc1ccc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.47
METAP1 P53582 1/20 0.47
SLC6A7 Q99884 1/20 0.44
DHFR P00374 1/20 0.43
NPC1 O15118 2/20 0.43
HRH1 P35367 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HRH2 P25021 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL17827663 0.99 MAPT (0.55) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL12520752 0.92 MAPT (0.62) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL12520806 0.88 MAPT (0.57) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL17827698 0.85 DHFR (0.46) MAPTHTR1AHTR7ALDH1A1DHFR
SCHEMBL17827679 0.85 CHKA (0.47) MAPTHTR1AHTR7GAADHFR
SCHEMBL12520978 0.84 MAPT (0.53) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL12520940 0.84 MAPT (0.53) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL12520836 0.83 MAPT (0.52) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL17827676 0.83 PIK3CA (0.40) MAPTRAB9AKMT2AHTR1AHTR7
SCHEMBL17827675 0.83 KIT (0.43) MAPTKMT2AHTR1AHTR7ALDH1A1

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 MAPT 4504/4885RAB9A 898/4885KMT2A 2461/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MAPT 4504/4885RAB9A 898/4885KMT2A 2461/4885

“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.