SCHEMBL864178

SCHEMBL864178

COCCNc1nc2c(C)c(F)ccc2cc1C(C)Nc1nc(C)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
KDM4E B2RXH2 2/20 0.36
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
HTR2C P28335 2/20 0.34
HTR6 P50406 2/20 0.34
CRHR1 P34998 3/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL15184778 1.00 HTR7 (0.39) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL15184770 0.95 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL864127 0.95 HTR7 (0.38) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL15184765 0.84 HTR7 (0.43) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL863562 0.84 HTR7 (0.43) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL15184776 0.83 CHRM4 (0.36) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL3714054 0.82 KDM4E (0.37) KDM4ETLR8TLR7CRHR1PIK3CD
SCHEMBL3714056 0.82 KDM4E (0.37) KDM4ETLR8TLR7CRHR1PIK3CD
SCHEMBL15184782 0.81 KDM4E (0.35) HTR7ADRA1DADRA1AADRA1BKDM4E
SCHEMBL15184816 0.79 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1BKDM4E

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
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA HTR7 1818/4885ADRA1D 3469/4885ADRA1A 3834/4885

“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.