SCHEMBL16016392

SCHEMBL16016392

Cc1nc(Cc2cccc(Cl)c2F)ns1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.34
CD38 P28907 1/20 0.34
GRM4 Q14833 2/20 0.34
AKR1B1 P15121 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR6 P50406 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CXCR2 P25025 1/20 0.31
PDE2A O00408 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL16018769 0.82 MPO (0.38) MPOP2RX7CD38GRM4AKR1B1
SCHEMBL19157724 0.73 P2RX7 (0.43) MPOP2RX7CD38GRM4AKR1B1
SCHEMBL16016416 0.73 LMNA (0.47) MPOLMNAGRM4MEN1KMT2A
SCHEMBL16016414 0.72 NPC1 (0.38) MPOLMNAP2RX7CD38GRM4
SCHEMBL16016408 0.71 MPO (0.42) MPOLMNAP2RX7CD38GRM4
SCHEMBL16016398 0.71 KMT2A (0.45) MPOLMNAP2RX7GRM4MEN1
SCHEMBL16016315 0.70 PTGS2 (0.39) MPOP2RX7PTGS2HTR6SMN1; SMN2
SCHEMBL799823 0.68 L3MBTL1 (0.42) HTR6L3MBTL1
SCHEMBL20724156 0.68 MPO (0.38) MPOLMNAP2RX7CD38GRM4
SCHEMBL16016409 0.68 MPO (0.40) MPOLMNAP2RX7CD38GRM4

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
EP-2774928-B1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-08-30 EP 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
EP-2774928-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2014-09-10 EP 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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 MPO 4689/4885LMNA 1344/4885P2RX7 1820/4885

“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.