SCHEMBL19220570

SCHEMBL19220570

Cc1nc(C(C)C)sc1Cc1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
GRM4 Q14833 2/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 1/20 0.32
P2RX7 Q99572 2/20 0.32
MAPK1 P28482 1/20 0.32
NTRK1 P04629 1/20 0.32
GCGR P47871 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL19157723 0.83 GRM4 (0.34) MPOPTGS2PTGS1IDO1AGXT
SCHEMBL19157479 0.82 THRB (0.44) MPOPTGS2PTGS1IDO1AGXT
SCHEMBL19225307 0.79 IDO1 (0.38) MPOPTGS2PTGS1IDO1AGXT
SCHEMBL16018755 0.76 SLC6A3 (0.39) MPOPTGS2PTGS1IDO1AGXT
SCHEMBL16018756 0.74 IDO1 (0.39) MPOIDO1AGXTGRM4MAPK14
SCHEMBL16018757 0.73 PTGS2 (0.37) MPOPTGS2IDO1AGXTGRM4
SCHEMBL16018762 0.73 GPER1 (0.41) MPOPTGS2IDO1AGXTGRM4
SCHEMBL19220559 0.73 MPO (0.37) MPOGRM4P2RX7
SCHEMBL22841033 0.72 GRM4 (0.33) MPOIDO1AGXTGRM4SLC6A2
SCHEMBL19158098 0.69 GRM4 (0.36) MPOPTGS2PTGS1IDO1AGXT

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-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

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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 MPO 4689/4885PTGS2 2173/4885PTGS1 1275/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 MPO 4689/4885PTGS2 2173/4885PTGS1 1275/4885

“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.