SCHEMBL19220558

SCHEMBL19220558

CC(C)c1cn(Cc2cccc(Cl)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 7/20 0.38
KDM4C Q9H3R0 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
AKR1B1 P15121 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
PDE2A O00408 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
KDM5A P29375 1/20 0.33
CXCR2 P25025 1/20 0.33
P2RX7 Q99572 2/20 0.33
CFD P00746 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL19157912 0.82 PHF8 (0.42) PHF8KDM4CKDM2BKDM2APDE2A
SCHEMBL22747342 0.80 KDM5B (0.47) KDM4CKDM5BKDM5A
SCHEMBL24180187 0.74 CYP11B1 (0.46) KDM4CKDM5BKDM5A
SCHEMBL22747343 0.73 CPB2 (0.49) PHF8KDM4CKDM5BKDM5A
SCHEMBL19220556 0.72 KDM5B (0.43) KDM4CKDM5BKDM5A
SCHEMBL22185256 0.72 CYP11B1 (0.45) PHF8KDM4CKDM5B
SCHEMBL24844792 0.69 PHF8 (0.51) PHF8KDM4CKDM2BKDM2AKDM5B
SCHEMBL11914065 0.68 CPB2 (0.32)
SCHEMBL6529662 0.66 PHF8 (0.54) PHF8KDM4CKDM2BKDM2AKDM5B
SCHEMBL8244665 0.66 GABRA1 (0.50) AKR1B1CXCR2P2RX7CFD

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 5 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

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 PHF8 1854/4885KDM4C 712/4885KDM2B 980/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 PHF8 1854/4885KDM4C 712/4885KDM2B 980/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 PHF8 1854/4885KDM4C 712/4885KDM2B 980/4885

“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.