SCHEMBL16016409

SCHEMBL16016409

Cc1nc(Cc2cccc(Cl)c2F)co1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
P2RX7 Q99572 1/20 0.37
CD38 P28907 1/20 0.34
AKR1B1 P15121 1/20 0.33
ADORA2A P29274 1/20 0.33
LMNA P02545 3/20 0.32
GRM4 Q14833 1/20 0.32
MYC P01106 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE2A O00408 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16018773 0.82 MPO (0.40) MPOP2RX7CD38AKR1B1ADORA2A
SCHEMBL16016408 0.77 MPO (0.42) MPOP2RX7CD38AKR1B1ADORA2A
SCHEMBL2656435 0.74 HTT (0.51) P2RX7LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL16016416 0.73 LMNA (0.47) MPOLMNAGRM4SMN1; SMN2ALDH1A1
SCHEMBL16020969 0.72 PTGER1 (0.40) MPOP2RX7AKR1B1HPGD
SCHEMBL16020965 0.71 MPO (0.37) MPOP2RX7CD38AKR1B1LMNA
SCHEMBL16016327 0.70 HRH4 (0.38) MPOP2RX7ADORA2ASMN1; SMN2PDE2A
SCHEMBL16016407 0.69 MPO (0.38) MPOP2RX7CD38AKR1B1LMNA
SCHEMBL16016413 0.68 HTT (0.37) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL16018768 0.68 SLC6A3 (0.40) MPOADORA2ALMNAGRM4SMN1; SMN2

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 4689/4885P2RX7 1820/4885CD38 1632/4885

“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.