SCHEMBL17016555

SCHEMBL17016555

Cc1c(Cl)nc(Cl)c(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM6 O15303 1/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL17008118 0.85 GRM6 (0.40) CYP2C9CYP2C19NPSR1GRM6ALDH1A1
SCHEMBL38658851 0.85 GRM6 (0.40) CYP2C9CYP2C19NPSR1GRM6ALDH1A1
SCHEMBL25390526 0.80 GRM6 (0.37) CYP2C9CYP2C19NPSR1GRM6CISD2
SCHEMBL27809721 0.80 MAPT (0.37) CYP2C9CYP2C19NPSR1GRM6ALDH1A1
SCHEMBL30562641 0.80 GRM6 (0.37) CYP2C9CYP2C19NPSR1GRM6CISD2
SCHEMBL19023262 0.79 NPSR1 (0.41) NPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28569434 0.78 HSP90AA1 (0.39) CYP2C9CYP2C19NPSR1GRM6CNR1
SCHEMBL5712646 0.76 GRM6 (0.44) CYP2C9CYP2C19NPSR1GRM6CISD2
SCHEMBL16150656 0.76 ALDH1A1 (0.46) CYP2C9CYP2C19NPSR1GRM6CNR1
SCHEMBL1051651 0.75 ALDH1A1 (0.38) CYP2C9CYP2C19NPSR1GRM6ALDH1A1

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-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, MAVS, TYMP CYP2C9 2101/4885CYP2C19 1124/4885NPSR1 4808/4885

“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.