SCHEMBL5865730

SCHEMBL5865730

COCCN(CCOC)c1ccc(Br)cc1N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.39
HPGD P15428 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 2/20 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
SCHEMBL17047624 0.81 ALDH3A1 (0.46) CRHR1SLC6A2
SCHEMBL5865728 0.80 KMT2A (0.51) CRHR1
SCHEMBL17047670 0.77 S100B (0.44)
SCHEMBL5865767 0.76 CRHR1 (0.38) CRHR1HPGDSLC6A4SLC6A2
SCHEMBL6574108 0.76 CRHR1 (0.33) CRHR1
SCHEMBL28512003 0.75 CYP3A4 (0.33) CRHR1HPGDSLC6A4SLC6A2
SCHEMBL9424150 0.75 KMT2A (0.38) CRHR1HPGD
SCHEMBL6571582 0.75 GAA (0.40) CRHR1
SCHEMBL17047623 0.75 ALDH1A1 (0.41) CRHR1
SCHEMBL6572721 0.73 KDM4E (0.35) CRHR1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056925-B2 for example, N-{2-[benzyl(2-hydroxyethyl)amino]-5-bromophenyl)}-N'-(5-cyano-2-pyrazinyl)urea, N-{5-bromo-2-[(2-hydroxy-2-phenylethyl)(methyl)amino]phenyl}-N'-(5-cyano-2-pyrazinyl)urea; anticarcinogenic agents ABBOTT LABORATORIES (US) 2006-06-06 US disclosed
EP-1534692-A1 UREA DERIVATIVES AS KINASE INHIBITORS Abbott Laboratories (US) 2005-06-01 EP disclosed
US-20040259885-A1 Urea kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004014876-A1 UREA DERIVATIVES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-02-19 WO disclosed
US-20040034038-A1 Urea kinase inhibitors ABBOTT LABORATORIES 2004-02-19 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-20040034038-A1 Urea kinase inhibitors UCK2, CMPK1, CDK2 CRHR1 4751/4885HPGD 1552/4885SLC6A4 4730/4885
US-20040259885-A1 Urea kinase inhibitors UCK2, CMPK1, CDK2 CRHR1 4751/4885HPGD 1552/4885SLC6A4 4730/4885

“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.