SCHEMBL5117670

SCHEMBL5117670

COc1c2n(c3c(C(=O)O)cn(Cc4ccc(F)c(Cl)c4)c(=O)c13)CCN(C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.44
FSCN1 Q16658 1/20 0.43
TOP1 P11387 6/20 0.38
P2RX7 Q99572 9/20 0.37
PDPK1 O15530 1/20 0.35

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
SCHEMBL4751587 0.86 P2RX7 (0.39) FSCN1P2RX7
SCHEMBL4750000 0.84 FSCN1 (0.43) CHRM1FSCN1TOP1PDPK1
SCHEMBL4743539 0.83 FSCN1 (0.43) CHRM1FSCN1P2RX7PDPK1
SCHEMBL4745171 0.83 P2RX3 (0.40) FSCN1P2RX7
SCHEMBL4749999 0.83 P2RX7 (0.39) FSCN1P2RX7
SCHEMBL4748066 0.82 P2RX7 (0.37) FSCN1P2RX7
SCHEMBL4745146 0.82 P2RX7 (0.35) FSCN1P2RX7
SCHEMBL4746117 0.81 FSCN1 (0.42) CHRM1FSCN1P2RX7
SCHEMBL4746320 0.81 FSCN1 (0.40) CHRM1FSCN1P2RX7PDPK1
SCHEMBL4744320 0.81 P2RX7 (0.36) FSCN1P2RX7

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-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP CHRM1 1224/4885FSCN1 4879/4885TOP1 82/4885

“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.