SCHEMBL6798178

SCHEMBL6798178

CCCN(CO)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CRHR1 P34998 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6799761 0.88 CRHR1 (0.37) SMN1; SMN2LMNACYP1A2CYP2C19CYP3A4
SCHEMBL5845617 0.84 CRHR1 (0.39) CRHR1
SCHEMBL5845635 0.81 CRHR1 (0.39) SMN1; SMN2CRHR1MAPK1
SCHEMBL6802304 0.80 CRHR1 (0.38) CYP1A2CYP2C19CYP3A4CYP2C9CRHR1
SCHEMBL6798630 0.80 CRHR1 (0.35) CRHR1
SCHEMBL6796453 0.78 CRHR1 (0.35) CRHR1
SCHEMBL6799676 0.78 POLB (0.45) SMN1; SMN2LMNACYP1A2CYP2C19CYP3A4
SCHEMBL5846012 0.76 CRHR1 (0.41) CRHR1
SCHEMBL6798257 0.74 MEN1 (0.36) SMN1; SMN2CYP1A2CYP2C19CYP3A4CRHR1
SCHEMBL6797947 0.74 CRHR1 (0.37) CRHR1

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-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 SMN1; SMN2 1860/4885LMNA 4189/4885CYP1A2 2264/4885

“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.