SCHEMBL16695693

SCHEMBL16695693

ClCc1nc(OCC2CCCO2)c2ccc(Br)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM4 Q14833 4/20 0.41
IRAK4 Q9NWZ3 2/20 0.38
ACHE P22303 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 4/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
CNR1 P21554 1/20 0.36
IRAK1 P51617 1/20 0.36
CCR5 P51681 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
SCHEMBL16695838 0.84 GRM4 (0.45) POLBNPSR1GRM4IRAK4ACHE
SCHEMBL16695839 0.82 CDK2 (0.39) ACHECNR2CNR1
SCHEMBL16695695 0.81 GRM4 (0.43) GRM4
SCHEMBL3344051 0.77 GRM4 (0.55) POLBNPSR1GRM4IRAK4RXFP1
SCHEMBL3335280 0.76 RXFP1 (0.43) POLBNPSR1GRM4IRAK4ACHE
SCHEMBL19129176 0.74 CYP3A4 (0.39) POLBNPSR1GRM4IRAK4RXFP1
SCHEMBL16695672 0.74 PTGES (0.37) GRM4IRAK4ACHECNR2EPHA2
SCHEMBL16695852 0.72 CYP1B1 (0.41) ACHEKMT2A
SCHEMBL16695689 0.72 GRM4 (0.41) GRM4IRAK4CNR2CNR1
SCHEMBL16695841 0.72 PTGES (0.37) GRM4ACHERXFP1KMT2A

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-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO 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-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS HIF1AN, RNASEH1, RTF1 POLB 1705/4885NPSR1 659/4885GRM4 3452/4885

“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.