SCHEMBL19225307

SCHEMBL19225307

CCc1nc(C)c(Cc2ccc(F)cc2F)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MPO P05164 1/20 0.36
LMNA P02545 3/20 0.35
COMT P21964 1/20 0.35
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 2/20 0.33
GRM4 Q14833 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
PTGS1 P23219 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 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
SCHEMBL19157479 0.84 THRB (0.44) IDO1AGXTMPOLMNATP53
SCHEMBL19220570 0.79 MPO (0.35) IDO1AGXTMPOLMNAPTGS2
SCHEMBL19157898 0.76 IDO1 (0.42) IDO1AGXTMPOLMNANPC1
SCHEMBL19225308 0.72 GPER1 (0.41) IDO1AGXTMPOPTGS2F2RL3
SCHEMBL20724163 0.72 IDO1 (0.39) IDO1AGXTMPOPTGS2F2RL3
SCHEMBL20724156 0.72 MPO (0.38) MPOLMNACOMTTP53MAPT
SCHEMBL19158098 0.70 GRM4 (0.36) IDO1AGXTMPOCOMTTP53
SCHEMBL16016319 0.70 NPC1 (0.46) IDO1AGXTMPOPTGS2PTGS1
SCHEMBL19225188 0.70 SLC5A2 (0.42) IDO1AGXTMPOPTGS2GAA
SCHEMBL16016321 0.69 IDO1 (0.41) IDO1AGXTMPOPTGS2PTGS1

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 3 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-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 (3 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 IDO1 138/4885AGXT 2646/4885MPO 4689/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 IDO1 138/4885AGXT 2646/4885MPO 4689/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 IDO1 138/4885AGXT 2646/4885MPO 4689/4885

“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.