SCHEMBL6082359

SCHEMBL6082359

COc1ccc(-c2ncnc(N)c2N)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
MAP4K4 O95819 4/20 0.37
DYRK1A Q13627 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
PLAU P00749 1/20 0.34
DRD1 P21728 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CRHR1 P34998 1/20 0.33
MAP4K1 Q92918 1/20 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
SCHEMBL6083436 0.80 NNMT (0.41) NNMTPIK3CABRD9BRD7PLAU
SCHEMBL6082233 0.75 TP53 (0.37) PIK3CACRHR1
SCHEMBL6082225 0.75 TP53 (0.37) PIK3CACRHR1
SCHEMBL6083424 0.74 NNMT (0.36) NNMTPIK3CAMTORBRD9BRD7
SCHEMBL6082492 0.74 CRHR1 (0.42) CRHR1
SCHEMBL6082485 0.74 CRHR1 (0.42) CRHR1
SCHEMBL6081981 0.72 CRHR1 (0.35) CRHR1
SCHEMBL6081983 0.72 CRHR1 (0.35) CRHR1
SCHEMBL6817680 0.72 TLR7 (0.34) PIK3CAMAP4K1
SCHEMBL6083412 0.71 NNMT (0.33) NNMTBRD9BRD7DRD1

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 NNMT 3833/4885MAP4K4 1296/4885DYRK1A 3154/4885

“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.