SCHEMBL16018757

SCHEMBL16018757

CC(C)c1nc(Cc2ccc(F)cc2F)ns1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
MPO P05164 1/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
MAPK14 Q16539 1/20 0.33
GCGR P47871 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GPR6 P46095 4/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM4 Q14833 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL19157483 0.88 PTGS2 (0.35) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL16016315 0.81 PTGS2 (0.39) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL16018751 0.79 HTR6 (0.38) PTGS2GCGRKDM4EHTR2AHTR2C
SCHEMBL20724163 0.78 IDO1 (0.39) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL16018755 0.74 SLC6A3 (0.39) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL19220570 0.73 MPO (0.35) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL16018756 0.72 IDO1 (0.39) MPOIDO1AGXTMAPK14SLC6A4
SCHEMBL16018769 0.72 MPO (0.38) MPOGRM4
SCHEMBL16018762 0.71 GPER1 (0.41) PTGS2MPOIDO1AGXTMAPK14
SCHEMBL19157723 0.70 GRM4 (0.34) PTGS2MPOIDO1AGXTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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 (4 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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 PTGS2 2173/4885MPO 4689/4885IDO1 138/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 PTGS2 2173/4885MPO 4689/4885IDO1 138/4885
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 PTGS2 2173/4885MPO 4689/4885IDO1 138/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 PTGS2 2173/4885MPO 4689/4885IDO1 138/4885

“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.