SCHEMBL7257448

SCHEMBL7257448

CCCC#Cc1nc(=O)cc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
HAO1 Q9UJM8 2/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GRM5 P41594 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
SCHEMBL7257456 0.70 GPR84 (0.41) TLR8HAO1GRM5
SCHEMBL7175206 0.69
SCHEMBL7710156 0.65 GPR84 (0.37) CYP2D6GRM5
SCHEMBL3817459 0.61 TLR8 (0.48) TLR8
SCHEMBL5006819 0.60 XDH (0.42)
SCHEMBL26018139 0.60 ELANE (0.32)
SCHEMBL15202372 0.59 XDH (0.48)
SCHEMBL19957013 0.58
SCHEMBL17429955 0.58 TLR8 (0.35) TLR8GRM5
SCHEMBL1890981 0.58 DPYD (0.50)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2003-06-05 US disclosed
US-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. 2002-02-21 US disclosed
US-6235748-B1 CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-05-22 US disclosed
EP-1009739-A2 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-21 EP disclosed
WO-1999011624-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO 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 (2 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-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY PARP2, PARP1, PARP3 TLR8 1504/4885HAO1 196/4885CYP2D6 102/4885
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity PARP1, PARP3, PARP2 TLR8 1437/4885HAO1 368/4885CYP2D6 140/4885

“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.