SCHEMBL6082838

SCHEMBL6082838

COCC(C)c1cnc(N)c(N)c1-c1ccc(OC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.40
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
USP7 Q93009 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL6082788 0.76 CRHR1 (0.39) CRHR1USP7TLR8
SCHEMBL6821651 0.70 LNPEP (0.35) CRHR1USP7TLR8
SCHEMBL15698765 0.67 DRD1 (0.46)
SCHEMBL2789977 0.66 P2RX3 (0.32) P2RX3P2RX2
SCHEMBL6074920 0.66 ALOX5AP (0.50) TLR8
SCHEMBL17178251 0.65 CYP11B1 (0.50) CRHR1
SCHEMBL17178230 0.65 CYP1A2 (0.48)
SCHEMBL17178249 0.65 NPC1 (0.51) CRHR1TLR8
SCHEMBL26597794 0.65 NPC1 (0.44) TLR8
SCHEMBL30741303 0.65 NPC1 (0.44) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 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 (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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885P2RX3 122/4885P2RX2 134/4885

“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.