SCHEMBL17827679

SCHEMBL17827679

c1cnc(-c2ccncc2)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.47
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
DHFR P00374 1/20 0.41
MELK Q14680 1/20 0.40
CSNK1D P48730 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
EED O75530 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM1 P11229 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL17827666 0.94 MAPT (0.47) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827698 0.91 DHFR (0.46) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827672 0.90 HRH2 (0.49) CHKAHTR1AHTR7MAPTDHFR
SCHEMBL17827674 0.90 HRH1 (0.49) CHKAHTR1AHTR7MAPTLMNA
SCHEMBL17827700 0.90 CHKA (0.53) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827693 0.86 HTR7 (0.42) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827692 0.86 MAPT (0.44) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827663 0.86 MAPT (0.55) HTR1AHTR7MAPTDHFRGAA
SCHEMBL17827687 0.86 HRH1 (0.53) CHKAADRB2NCF1PLD1HTR1A
SCHEMBL17827699 0.85 MAPT (0.53) HTR1AHTR7MAPTDHFRGAA

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.