SCHEMBL17827641

SCHEMBL17827641

c1cnc(-c2ccc3[nH]ccc3c2)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
GRM1 Q13255 1/20 0.44
JAK2 O60674 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BRAF P15056 1/20 0.43
CDK2 P24941 1/20 0.41
PRKCZ Q05513 1/20 0.41
GRIA1 P42261 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
EGFR P00533 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 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
SCHEMBL17827642 0.92 BRAF (0.44) CSNK1DMAPK11MAPK14GRM1JAK2
SCHEMBL17827709 0.85 CSNK1D (0.44) CSNK1DMAPK11MAPK14GRM1JAK2
SCHEMBL17827669 0.82 HRH1 (0.49) CSNK1DMAPK11MAPK14GRM1CYP17A1
SCHEMBL17827679 0.79 CHKA (0.47) CSNK1DMAPK14DRD2DRD3
SCHEMBL17827686 0.77 DYRK1A (0.49) EGFRKDM4ERAB9AL3MBTL1CHEK1
SCHEMBL17827670 0.77 METAP1 (0.43) MAPK11MAPK14NPC1KDM4ERAB9A
SCHEMBL17827698 0.76 DHFR (0.46) CSNK1DMAPK14DRD2
SCHEMBL17827683 0.76 FAAH (0.47) KDM4ERAB9AL3MBTL1CCNCCDK8
SCHEMBL17827666 0.76 MAPT (0.47) CSNK1DMAPK14DRD2KDM4E
SCHEMBL17827644 0.76 PIK3CD (0.49) DRD2DRD3DRD4PIK3CAMTOR

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 CSNK1D 2788/4885MAPK11 1748/4885MAPK14 2216/4885
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.