SCHEMBL4160621

SCHEMBL4160621

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(F)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.49
TSHR P16473 1/20 0.49
SLC6A4 P31645 1/20 0.45
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR17 Q13304 1/20 0.41
SERPINE1 P05121 1/20 0.41
NOTUM Q6P988 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
HTR2A P28223 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HTR1A P08908 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4159537 0.91 MPO (0.43) MPOTSHRSLC6A4HPGDCYP2C19
SCHEMBL4165123 0.86 HPGD (0.63) MPOTSHRHPGDCYP2C19GPR17
SCHEMBL4155432 0.86 CYP2C19 (0.44) HPGDCYP2C19GPR17MTNR1AMTNR1B
SCHEMBL4169910 0.86 HPGD (0.44) MPOTSHRSLC6A4HPGDCYP2C19
Hydrochloric Acid SCHEMBL4161691 0.85 HPGD (0.62) MPOTSHRHPGDCYP2C19GPR17
SCHEMBL4169903 0.84 HTR1A (0.47) TSHRHPGDCYP2C19GPR17KDM4E
SCHEMBL4153837 0.84 GPR17 (0.45) HPGDCYP2C19GPR17
SCHEMBL4161137 0.83 POLB (0.50) KMT2A
SCHEMBL4155597 0.83 HTR6 (0.45)
SCHEMBL4165404 0.83 HPGD (0.42) MPOTSHRHPGDCYP2C19GPR17

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
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 MPO 1053/4885TSHR 4040/4885SLC6A4 4800/4885

“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.