SCHEMBL6081983

SCHEMBL6081983

CCC(Nc1ncnc(-c2ccc(OC)nc2C)c1N)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
TACR2 P21452 1/20 0.35
IDO1 P14902 1/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33

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
SCHEMBL6081981 1.00 CRHR1 (0.35) CRHR1TACR2IDO1SLC6A2SLC6A4
SCHEMBL6083147 0.82 CRHR1 (0.37) CRHR1
SCHEMBL6083159 0.82 CRHR1 (0.37) CRHR1
SCHEMBL6082492 0.81 CRHR1 (0.42) CRHR1TACR2
SCHEMBL6082485 0.81 CRHR1 (0.42) CRHR1TACR2
SCHEMBL6082233 0.79 TP53 (0.37) CRHR1TACR2
SCHEMBL6082225 0.79 TP53 (0.37) CRHR1TACR2
SCHEMBL6817680 0.76 TLR7 (0.34)
SCHEMBL6082269 0.75 CRHR1 (0.38) CRHR1
SCHEMBL6082274 0.75 CRHR1 (0.38) CRHR1

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 1/4885TACR2 189/4885IDO1 667/4885

“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.