SCHEMBL6082269

SCHEMBL6082269

CC[C@@H](Nc1ncnc(-c2ccc(OC(F)(F)F)cc2C)c1N)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.38
MDM2 Q00987 2/20 0.37
CYP1A2 P05177 3/20 0.36
HRH4 Q9H3N8 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
IL1B P01584 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SCN5A Q14524 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL6082274 1.00 CRHR1 (0.38) CRHR1MDM2CYP1A2HRH4AURKA
SCHEMBL6083147 0.88 CRHR1 (0.37) CRHR1
SCHEMBL6818798 0.78 ABL1 (0.36) CRHR1CYP1A2IL1BFFAR4SCN5A
SCHEMBL6083103 0.77 MDM2 (0.39) CRHR1MDM2FFAR4
SCHEMBL6081981 0.75 CRHR1 (0.35) CRHR1
SCHEMBL6081983 0.75 CRHR1 (0.35) CRHR1
SCHEMBL6082497 0.74 CYP1A2 (0.42) CYP1A2HRH4IL1BFFAR4SCN5A
SCHEMBL6818769 0.70 FFAR4 (0.35) CRHR1FFAR4SCN5A
SCHEMBL6082522 0.69 KDM4E (0.37) CRHR1FFAR4
SCHEMBL6082517 0.69 KDM4E (0.37) CRHR1FFAR4

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 2 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

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 1/4885MDM2 4254/4885CYP1A2 670/4885

“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.