SCHEMBL17827709

SCHEMBL17827709

C1=CN(c2cccnc2-c2ccc3[nH]ccc3c2)CCN1c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
GRM1 Q13255 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BRAF P15056 2/20 0.42
JAK2 O60674 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 1/20 0.38
CHRNA7 P36544 5/20 0.37
KCNH2 Q12809 4/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 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
SCHEMBL17827641 0.85 CSNK1D (0.49) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL17827642 0.77 BRAF (0.44) CSNK1DMAPK11MAPK14GRM1BRAF
SCHEMBL10094661 0.70 GRM1 (0.51) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL3956542 0.67 CYP17A1 (0.76) CSNK1DMAPK11MAPK14CYP17A1CYP11B1
SCHEMBL10094463 0.67 NPC1 (0.46) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL17827669 0.67 HRH1 (0.49) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL18828552 0.66 NPC1 (0.59) CYP17A1CYP11B1CYP11B2NISCHNPC1
SCHEMBL1640616 0.66 BRAF (0.58) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL20751805 0.66 PDE10A (0.38) CSNK1DMAPK11MAPK14CYP17A1CYP11B1
SCHEMBL7849005 0.65 PDE10A (0.46) GRM1CYP17A1CYP11B1CYP11B2BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CSNK1D 2788/4885MAPK11 1748/4885MAPK14 2216/4885

“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.