SCHEMBL6799676

SCHEMBL6799676

CCCN(COC)c1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHR1 P34998 8/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.36
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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 0.90 CRHR1 (0.37) POLBTSHRMAPK1CYP1A2CYP2C19
SCHEMBL6799302 0.80 CRHR1 (0.38) POLBCYP1A2CRHR1
SCHEMBL6799351 0.78 CRHR1 (0.36) CRHR1
SCHEMBL6798178 0.78 SMN1; SMN2 (0.37) POLBTSHRMAPK1CYP1A2CYP2C19
SCHEMBL6797859 0.71 CRHR1 (0.58) POLBTSHRMAPK1CYP1A2CYP2C19
SCHEMBL6799682 0.70 CRHR1 (0.51) POLBTSHRMAPK1CYP1A2CYP2C19
SCHEMBL5844143 0.70 CYP3A4 (0.38) CRHR1CYP3A4
SCHEMBL6799489 0.70 CRHR1 (0.35) CYP1A2CYP2C19CRHR1CYP3A4CYP2C9
SCHEMBL6791531 0.69 CRHR1 (0.37) POLBCYP1A2CRHR1
SCHEMBL6797767 0.68 CRHR1 (0.35) 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 POLB 4331/4885TSHR 90/4885MAPK1 1208/4885

“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.