SCHEMBL5865728

SCHEMBL5865728

COCCN(CCOC)c1ccc(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
CRHR1 P34998 11/20 0.46
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABL1 P00519 1/20 0.39
TP53 P04637 1/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 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
SCHEMBL5865730 0.80 CRHR1 (0.39) CRHR1
SCHEMBL6572937 0.77 CRHR1 (0.54) CRHR1CYP3A4DPP4
SCHEMBL5865767 0.76 CRHR1 (0.38) GAACRHR1ALDH1A1
SCHEMBL6571986 0.76 MEN1 (0.41) KMT2ACRHR1CYP3A4SMN1; SMN2DPP4
SCHEMBL9424150 0.75 KMT2A (0.38) KMT2ACRHR1CYP3A4TSHRALDH1A1
SCHEMBL6572154 0.75 MEN1 (0.47) KMT2AGAACRHR1ALDH1A1MEN1
SCHEMBL12656213 0.74 CRHR1 (0.47) KMT2ACRHR1ALDH1A1MEN1
SCHEMBL6571546 0.73 CRHR1 (0.42) KMT2ACRHR1ALDH1A1TP53MEN1
SCHEMBL6573371 0.73 CRHR1 (0.41) KMT2ACRHR1CYP3A4TP53DPP4
SCHEMBL6572395 0.71 CRHR1 (0.48) CRHR1CYP3A4TSHRDPP4

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 KMT2A 2855/4885GAA 1078/4885CRHR1 4751/4885
US-20040259885-A1 Urea kinase inhibitors UCK2, CMPK1, CDK2 KMT2A 2855/4885GAA 1078/4885CRHR1 4751/4885

“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.