SCHEMBL17827653

SCHEMBL17827653

COc1ccc(C(C)(O)c2ncccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
HRH3 Q9Y5N1 4/20 0.44
F10 P00742 1/20 0.42
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
METAP1 P53582 1/20 0.41
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL17827652 0.90 MAPT (0.49) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL17827703 0.89 MAPT (0.50) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL20751652 0.86 MAPT (0.45) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL17827707 0.81 CHKA (0.42) MAPTRAB9AGAAHRH3KDM4E
SCHEMBL17827663 0.76 MAPT (0.55) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL17827699 0.75 MAPT (0.53) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL17827657 0.75 MAPT (0.42) MAPTGAAHRH3KDM4EHTT
SCHEMBL17827658 0.74 SLC2A1 (0.41) MAPTRAB9AKMT2ACYP3A4HTT
SCHEMBL16439227 0.74 KMT2A (0.49) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL8890453 0.73 GAA (0.69) MAPTRAB9AKMT2AALDH1A1GAA

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 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.