SCHEMBL17827658

SCHEMBL17827658

COc1ccccc1C(O)(c1ccccc1)c1ncccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
SLC2A2 P11168 2/20 0.41
SLC2A3 P11169 2/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPY2R P49146 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL17827657 0.86 MAPT (0.42) LMNACYP19A1MAPTHTTDRD2
SCHEMBL17827652 0.82 MAPT (0.49) MAPTHTTRAB9AKMT2ACYP3A4
SCHEMBL20751652 0.78 MAPT (0.45) LMNAL3MBTL1SMN1; SMN2MAPTRAB9A
SCHEMBL17827707 0.75 CHKA (0.42) LMNAL3MBTL1SMN1; SMN2MAPTHTT
SCHEMBL17827653 0.74 MAPT (0.48) MAPTHTTRAB9AKMT2ACYP3A4
SCHEMBL8634183 0.74 DRD2 (0.63) SLC2A1SLC2A2SLC2A3LMNAL3MBTL1
SCHEMBL20751685 0.74 HTR2A (0.37) SMN1; SMN2MAPTHTTKMT2AKHK
SCHEMBL17827703 0.72 MAPT (0.50) MAPTHTTRAB9AKMT2ACYP3A4
SCHEMBL4599958 0.69 CYP19A1 (0.48) CYP19A1SMN1; SMN2HTTKMT2ACA12
SCHEMBL6568167 0.69 CYP19A1 (0.51) CYP19A1SMN1; SMN2HTTKMT2ACA12

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 SLC2A1 3962/4885SLC2A2 4074/4885SLC2A3 4058/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR SLC2A1 3962/4885SLC2A2 4074/4885SLC2A3 4058/4885

“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.