SCHEMBL16018769

SCHEMBL16018769

CC(C)c1nc(Cc2cccc(Cl)c2F)ns1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
CXCR2 P25025 4/20 0.33
HTR1B P28222 1/20 0.33
CX3CR1 P49238 1/20 0.33
AKR1B1 P15121 1/20 0.32
CD38 P28907 1/20 0.31
CFD P00746 2/20 0.31
P2RX7 Q99572 1/20 0.31
HTR6 P50406 1/20 0.30
GRM4 Q14833 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
SCHEMBL16016392 0.82 MPO (0.40) MPOCXCR2AKR1B1CD38P2RX7
SCHEMBL16018768 0.76 SLC6A3 (0.40) MPOCXCR2HTR1BCX3CR1GRM4
SCHEMBL19220559 0.75 MPO (0.37) MPOCXCR2HTR1BCX3CR1AKR1B1
SCHEMBL16018765 0.74 MPO (0.36) MPOCXCR2HTR1BCX3CR1AKR1B1
SCHEMBL16018767 0.73 POLB (0.45) MPOCXCR2HTR1BCX3CR1
SCHEMBL16018757 0.72 PTGS2 (0.37) MPOGRM4
SCHEMBL16018751 0.71 HTR6 (0.38) HTR6
SCHEMBL16018773 0.68 MPO (0.40) MPOCXCR2HTR1BCX3CR1AKR1B1
SCHEMBL16018770 0.68 SLC5A2 (0.46) MPOCXCR2HTR1BCX3CR1P2RX7
SCHEMBL16018764 0.67 MPO (0.36) MPOCXCR2AKR1B1CFDP2RX7

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 4689/4885CXCR2 4615/4885HTR1B 2508/4885

“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.