SCHEMBL16016408

SCHEMBL16016408

Cc1nc(Cc2cccc(Cl)c2F)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.42
P2RX7 Q99572 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
AKR1B1 P15121 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CD38 P28907 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CXCR2 P25025 1/20 0.32
HTR1B P28222 1/20 0.32
CX3CR1 P49238 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 3/20 0.32
GRM4 Q14833 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
SCHEMBL10792280 0.84 SMN1; SMN2 (0.49) MPOSMN1; SMN2ADORA2AADORA1LMNA
SCHEMBL10791105 0.80 LMNA (0.46) SMN1; SMN2GPR84LMNA
SCHEMBL16016409 0.77 MPO (0.40) MPOP2RX7SMN1; SMN2AKR1B1ADORA2A
SCHEMBL10792269 0.75 GPR84 (0.38) P2RX7SMN1; SMN2GPR84MAPK1
SCHEMBL10792018 0.74 SMN1; SMN2 (0.41) P2RX7SMN1; SMN2GPR84
SCHEMBL16016416 0.73 LMNA (0.47) MPOSMN1; SMN2LMNAGRM4
SCHEMBL16020971 0.73 MPO (0.41) MPOP2RX7SMN1; SMN2AKR1B1CD38
SCHEMBL10885165 0.73 FABP4 (0.37) ADORA2AADORA1
SCHEMBL16016418 0.73 MPO (0.41) MPOP2RX7SMN1; SMN2AKR1B1ADORA2A
SCHEMBL10795374 0.72 TAAR1 (0.40) P2RX7SMN1; SMN2ADORA2AADORA1LMNA

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 1820/4885SMN1; SMN2 4086/4885

“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.