SCHEMBL16018772

SCHEMBL16018772

CC(C)c1ncc(Cc2cccc(Cl)c2F)o1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
P2RX7 Q99572 1/20 0.33
POLB P06746 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM4 Q14833 1/20 0.30
CXCR2 P25025 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CFD P00746 1/20 0.30

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
SCHEMBL16020965 0.82 MPO (0.37) MPOP2RX7AKR1B1PTPN1MEN1
SCHEMBL16018764 0.78 MPO (0.36) MPOP2RX7POLBAKR1B1PTPN1
SCHEMBL16018771 0.77 PTK2 (0.37) MPOP2RX7POLBAKR1B1CXCR2
SCHEMBL16018767 0.73 POLB (0.45) MPOPOLBMEN1KMT2ACXCR2
SCHEMBL16018773 0.73 MPO (0.40) MPOP2RX7AKR1B1CXCR2CFD
SCHEMBL16018766 0.72 PTGS2 (0.35) MPOGRM4HDAC6
SCHEMBL16016407 0.71 MPO (0.38) MPOP2RX7AKR1B1PTPN1MEN1
SCHEMBL823589 0.71 NPSR1 (0.38) POLBMEN1KMT2A
SCHEMBL16018770 0.70 SLC5A2 (0.46) MPOP2RX7POLBMEN1KMT2A
SCHEMBL16016398 0.68 KMT2A (0.45) MPOP2RX7POLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1820/4885POLB 46/4885

“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.