SCHEMBL17827680

SCHEMBL17827680

c1cnc(-c2cc3ccccc3s2)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CYP19A1 P11511 1/20 0.38
CHEK1 O14757 2/20 0.37
FGFR1 P11362 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PRKDC P78527 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CHKA P35790 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL5003179 0.77 NPY5R (0.41) HRH1HRH3CHEK1CHRM2CHRM4
SCHEMBL17827669 0.77 HRH1 (0.49) HRH1HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL17827648 0.76 ITK (0.47) HRH1HRH3CYP19A1
SCHEMBL17827666 0.75 MAPT (0.47) HRH1HRH3CHKALMNAMAPT
SCHEMBL17827679 0.75 CHKA (0.47) HRH1HRH3CHRM1CHKALMNA
SCHEMBL17827685 0.74 RIPK3 (0.42) HRH1HRH3CHRM1CHKAMETAP1
SCHEMBL4991852 0.74 DCK (0.41) HRH1HRH3ATRATRIPCYP19A1
SCHEMBL17827682 0.74 HRH3 (0.44) HRH1HRH3CYP19A1PRKDCLMNA
SCHEMBL17827691 0.74 PDGFRB (0.51) HRH1HRH3CHRM1PIK3CDPIK3CA
SCHEMBL5832681 0.73 FAAH (0.40) HRH3FGFR1CHRM2CHRM4CHRM5

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 HRH1 258/4885HRH3 567/4885ATR 1654/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR HRH1 258/4885HRH3 567/4885ATR 1654/4885

“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.