SCHEMBL17827675

SCHEMBL17827675

COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.43
MAPT P10636 6/20 0.42
HTR7 P34969 3/20 0.42
CFTR P13569 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SCD5 Q86SK9 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
TGFBR1 P36897 1/20 0.40

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 0.84 MAPT (0.55) MAPTHTR7GAAKDM4EALDH1A1
SCHEMBL17827677 0.83 SMARCA2 (0.43) MAPTHTR7KMT2ASLC2A1SLC2A2
SCHEMBL17827699 0.83 MAPT (0.53) MAPTHTR7GAAKDM4EALDH1A1
SCHEMBL17827676 0.81 PIK3CA (0.40) MAPTHTR7L3MBTL1KMT2ALMNA
SCHEMBL17827679 0.80 CHKA (0.47) MAPTHTR7GAAHTTLMNA
SCHEMBL17827670 0.79 METAP1 (0.43) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL17831329 0.79 MAPK14 (0.44) MAPTHTR7HTR1A
SCHEMBL17827669 0.79 HRH1 (0.49) KDM4EL3MBTL1
SCHEMBL17827698 0.78 DHFR (0.46) MAPTHTR7ALDH1A1LMNAHTR1A
SCHEMBL17827666 0.78 MAPT (0.47) MAPTHTR7GAAKDM4EHTT

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
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 KIT 1929/4885MAPT 4504/4885HTR7 3000/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR KIT 1929/4885MAPT 4504/4885HTR7 3000/4885

“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.