SCHEMBL6083103

SCHEMBL6083103

CC(Nc1ncnc(-c2ccc(OC(F)(F)F)cc2Cl)c1N)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.39
CRHR1 P34998 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
IDH2 P48735 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
TP53 P04637 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL6082635 0.88 IDH2 (0.42) CRHR1IDH2
SCHEMBL6082630 0.88 IDH2 (0.42) CRHR1IDH2
SCHEMBL6082842 0.84 IDH2 (0.39) MDM2CRHR1IDH2
SCHEMBL6082839 0.84 IDH2 (0.39) MDM2CRHR1IDH2
SCHEMBL6082517 0.82 KDM4E (0.37) CRHR1FFAR4TP53
SCHEMBL6082522 0.82 KDM4E (0.37) CRHR1FFAR4TP53
SCHEMBL6818769 0.79 FFAR4 (0.35) CRHR1FFAR4
SCHEMBL6082274 0.77 CRHR1 (0.38) MDM2CRHR1FFAR4
SCHEMBL6082269 0.77 CRHR1 (0.38) MDM2CRHR1FFAR4
SCHEMBL6082541 0.70 CRHR1 (0.42) CRHR1TP53

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 MDM2 4254/4885CRHR1 1/4885FFAR4 968/4885

“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.