SCHEMBL16020971

SCHEMBL16020971

Cc1cc(Cc2cccc(Cl)c2F)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.41
GPR84 Q9NQS5 2/20 0.36
AKR1B1 P15121 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
SNCA P37840 3/20 0.34
CD38 P28907 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL16016403 0.84 MPO (0.39) MPOGPR84AKR1B1PCSK9SNCA
SCHEMBL16020968 0.73 MPO (0.39) MPOAKR1B1PCSK9CD38P2RX7
SCHEMBL16016408 0.73 MPO (0.42) MPOGPR84AKR1B1PCSK9CD38
SCHEMBL15460004 0.70 MPO (0.42) MPOCD38P2RX7MAPTLMNA
SCHEMBL16020970 0.70 MPO (0.40) MPOAKR1B1CD38P2RX7MAPT
SCHEMBL22287928 0.69 MPO (0.41) MPOGPR84AKR1B1PCSK9
SCHEMBL13316625 0.69 MPO (0.41) MPOAKR1B1P2RX7MRGPRX4
SCHEMBL16016418 0.69 MPO (0.41) MPOAKR1B1CD38P2RX7MAPT
SCHEMBL19335822 0.68 TAAR1 (0.43) MPOSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL5412834 0.68 GABRA1 (0.44) MPOAKR1B1CD38P2RX7

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 4689/4885GPR84 3291/4885AKR1B1 1026/4885

“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.