SCHEMBL6082783

SCHEMBL6082783

O=[N+]([O-])c1c(-c2ccc(OC(F)F)cc2Cl)ccnc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
MGMT P16455 3/20 0.40
PIN1 Q13526 2/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
CNR1 P21554 2/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.36
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MPO P05164 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
SCHEMBL6082553 0.87 TLR8 (0.44) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6082323 0.84 PIN1 (0.46) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6082278 0.82 MRGPRX4 (0.44) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6103842 0.80 DAGLA (0.33) MEN1RAB9AKMT2A
SCHEMBL6081558 0.77 MGMT (0.40) MEN1NPC1RAB9AKMT2AATM
SCHEMBL30648686 0.76 MGMT (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1843397 0.76 MGMT (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6082905 0.76 CYP19A1 (0.40) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6081880 0.75 PIN1 (0.41) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1840400 0.75 MGMT (0.53) MEN1NPC1RAB9AKMT2AATM

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 MEN1 1412/4885NPC1 4017/4885RAB9A 2269/4885

“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.