SCHEMBL5404559

SCHEMBL5404559

CCC(CO)Nc1nc(C)c(-c2ccc(C)cc2C)nc1C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.56
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 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
SCHEMBL6075861 0.80 CRHR1 (0.81) CRHR1
SCHEMBL5409344 0.79 CRHR1 (0.68) CRHR1
SCHEMBL5409307 0.76 CRHR1 (0.56) CRHR1
SCHEMBL7216022 0.75 CRHR1 (0.43) CRHR1KDM4EMEN1ALDH1A1POLB
SCHEMBL5412960 0.72 CRHR1 (0.74) CRHR1
SCHEMBL5423381 0.69 CRHR1 (0.67) CRHR1
SCHEMBL5419404 0.68 CRHR1 (0.59) CRHR1
SCHEMBL5420383 0.68 CRHR1 (0.68) CRHR1
SCHEMBL5415539 0.68 CRHR1 (0.68) CRHR1
SCHEMBL5419644 0.68 CRHR1 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 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 (2 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885KDM4E 3651/4885MEN1 2942/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885KDM4E 3651/4885MEN1 2942/4885

“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.