SCHEMBL17827671

SCHEMBL17827671

Fc1cccc(-c2ncccc2N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41

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
SCHEMBL17827672 0.85 HRH2 (0.49) DHFRDRD2HRH2HRH1HRH3
SCHEMBL17827662 0.85 HRH2 (0.52) DHFRALDH1A1HRH2HRH1HRH3
SCHEMBL17831329 0.85 MAPK14 (0.44) DHFRHTR1AHTR1DHTR2AHTR7
SCHEMBL17827666 0.84 MAPT (0.47) DHFRDRD2HRH2HRH1HRH3
SCHEMBL17827679 0.83 CHKA (0.47) DHFRDRD2DRD3HRH2HRH1
SCHEMBL17827698 0.81 DHFR (0.46) DHFRDRD2CYP3A4TSHRALDH1A1
SCHEMBL17827701 0.80 GRM5 (0.38) DHFRCYP2C9ALDH1A1CYP1A2CYP2D6
SCHEMBL17827670 0.80 METAP1 (0.43) DHFRCYP3A4ALDH1A1HRH2HRH1
SCHEMBL17827669 0.80 HRH1 (0.49) HRH1HRH3MAPK11MAPK14CYP17A1
SCHEMBL17827668 0.78 RIPK3 (0.46) DRD2DRD3CYP3A4TSHRALDH1A1

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 DHFR 715/4885DRD2 3708/4885DRD4 2195/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR DHFR 715/4885DRD2 3708/4885DRD4 2195/4885

“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.