SCHEMBL16016407

SCHEMBL16016407

Cc1cnc(Cc2cccc(Cl)c2F)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
MTNR1A P48039 1/20 0.38
P2RX7 Q99572 1/20 0.38
PTPN1 P18031 1/20 0.35
AKR1B1 P15121 1/20 0.34
PTGER1 P34995 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NLRP3 Q96P20 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CD38 P28907 1/20 0.33
RXRA P19793 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
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
SCHEMBL16018764 0.82 MPO (0.36) MPOP2RX7PTPN1AKR1B1PTGER1
SCHEMBL16020969 0.79 PTGER1 (0.40) MPOMTNR1AP2RX7AKR1B1PTGER1
SCHEMBL16020965 0.78 MPO (0.37) MPOP2RX7PTPN1AKR1B1GRIN1
SCHEMBL16016417 0.76 PTK2 (0.42) MPOP2RX7PTPN1AKR1B1PTGER1
SCHEMBL16016398 0.75 KMT2A (0.45) MPOP2RX7ALDH1A1PKMHTT
SCHEMBL14864786 0.74 EGFR (0.44) MTNR1AP2RX7TAAR1ALDH1A1LMNA
SCHEMBL16018771 0.72 PTK2 (0.37) MPOP2RX7AKR1B1PTGER1LMNA
SCHEMBL16020970 0.72 MPO (0.40) MPOP2RX7AKR1B1GRIN1GRIN2B
SCHEMBL16016404 0.72 HRH1 (0.40) MPOP2RX7AKR1B1GRIN1GRIN2B
SCHEMBL16016395 0.72 CTSA (0.39) MPOP2RX7AKR1B1GRIN1GRIN2B

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 4689/4885MTNR1A 4296/4885P2RX7 1820/4885

“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.