SCHEMBL17827707

SCHEMBL17827707

CC(C)(O)c1ncccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PLD1 Q13393 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM1 P11229 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.37

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 0.82 MAPT (0.42) CHKAADRB2NCF1PLD1HRH3
SCHEMBL17827653 0.81 MAPT (0.48) HRH3MAPTGAAKDM4EHTT
SCHEMBL17827652 0.79 MAPT (0.49) HRH3MAPTGAAKDM4EHTT
SCHEMBL17827703 0.77 MAPT (0.50) HRH3MAPTGAAKDM4EHTT
SCHEMBL17831308 0.77 CHKA (0.48) CHKAADRB2NCF1PLD1HRH3
SCHEMBL7961670 0.77 CHKA (0.52) CHKAADRB2NCF1PLD1HRH3
SCHEMBL20751652 0.76 MAPT (0.45) HRH3MAPTGAAKDM4ELMNA
SCHEMBL20751685 0.76 HTR2A (0.37) HRH3MAPTKDM4EHTTSMN1; SMN2
SCHEMBL17827656 0.75 CHKA (0.50) CHKAADRB2NCF1PLD1MAPT
SCHEMBL17827658 0.75 SLC2A1 (0.41) MAPTLMNAHTTDRD2RAB9A

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 CHKA 4208/4885ADRB2 2935/4885NCF1 2165/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CHKA 4208/4885ADRB2 2935/4885NCF1 2165/4885

“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.