SCHEMBL17827644

SCHEMBL17827644

c1cnc(-c2cccc3[nH]ccc23)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.49
ADRB1 P08588 1/20 0.44
HTR6 P50406 1/20 0.44
PIK3CA P42336 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PRKCA P17252 1/20 0.40
FLT3 P36888 1/20 0.40
HTR2B P41595 1/20 0.40
GSK3B P49841 1/20 0.40
PRKCQ Q04759 1/20 0.40
MAP4K1 Q92918 1/20 0.40
ATR Q13535 2/20 0.39
ATRIP Q8WXE1 1/20 0.39
LRRK2 Q5S007 1/20 0.39
GAA P10253 4/20 0.39
MTOR P42345 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
SCHEMBL17827695 0.81 PTPN11 (0.41) ATRGAAMAPT
SCHEMBL17827690 0.81 CHRM1 (0.49) MAP4K1ATRATRIP
SCHEMBL17827685 0.81 RIPK3 (0.42) HTR6MTORMAPT
SCHEMBL20751799 0.80 PIK3CD (0.41) PIK3CDADRB1HTR6PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL3153087 0.78 GAA (0.43) PIK3CDADRB1HTR6PIK3CAPIK3CB
SCHEMBL17827642 0.77 BRAF (0.44) PIK3CDPIK3CAPIK3CBPIK3CGATR
Hydrochloric Acid SCHEMBL3153079 0.76 DRD2 (0.42) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL17827641 0.76 CSNK1D (0.49) PIK3CADRD2DRD4DRD3MTOR
SCHEMBL17827661 0.76 MAP4K1 (0.43) PRKCAPRKCQMAP4K1ATR
Hydrochloric Acid SCHEMBL3153077 0.75 DRD2 (0.42) PIK3CDADRB1HTR6PIK3CAPIK3CB

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 PIK3CD 1682/4885ADRB1 1578/4885HTR6 3252/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR PIK3CD 1682/4885ADRB1 1578/4885HTR6 3252/4885

“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.