SCHEMBL6082278

SCHEMBL6082278

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.44
MGMT P16455 1/20 0.42
PIN1 Q13526 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PTGER1 P34995 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGES O14684 1/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6082323 0.86 PIN1 (0.46) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL6082553 0.82 TLR8 (0.44) MRGPRX4MGMTPIN1CYP19A1CYP11B1
SCHEMBL6082783 0.82 MEN1 (0.41) MRGPRX4MGMTPIN1CYP19A1CYP11B1
SCHEMBL6084013 0.81 SCN9A (0.41) MRGPRX4MEN1KMT2A
SCHEMBL6081558 0.78 MGMT (0.40) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL1843397 0.77 MGMT (0.54) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL30648686 0.77 MGMT (0.54) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL6082905 0.77 CYP19A1 (0.40) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL6081880 0.77 PIN1 (0.41) MGMTPIN1CYP19A1CYP11B1CYP11B2
SCHEMBL1840400 0.76 MGMT (0.53) MGMTPIN1CYP19A1CYP11B1CYP11B2

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 MRGPRX4 165/4885MGMT 3704/4885PIN1 2996/4885

“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.