SCHEMBL3575822

SCHEMBL3575822

O=C(O)N(c1ccccc1)c1ncc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGIR P43119 1/20 0.38
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 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
SCHEMBL27551016 0.88 MLYCD (0.41) MLYCDCCNE1CDK2CDK5NPSR1
SCHEMBL3585979 0.77 NPSR1 (0.44) MLYCDNPSR1ALDH1A1NPC1RAB9A
SCHEMBL27551045 0.74 CDK8 (0.34) MLYCDCCNE1CDK2CDK5ALDH1A1
SCHEMBL27570649 0.74 HSP90AA1 (0.35) MLYCDCCNE1CDK2CDK5SNCA
SCHEMBL27551203 0.74 FBP1 (0.33) MLYCDCCNE1CDK2CDK5SNCA
SCHEMBL27551373 0.74 F7 (0.37) RAB9APTGIRKMT2ALMNAMEN1
SCHEMBL27551080 0.73 FFAR2 (0.38) NPSR1NPC1RAB9ALMNAMAPT
SCHEMBL27570755 0.73 FBP1 (0.42) MLYCDCCNE1CDK2CDK5SNCA
SCHEMBL11903628 0.73 SMN1; SMN2 (0.36) CCNE1CDK2CDK5ALDH1A1NPC1
SCHEMBL27783849 0.73 CCNE1 (0.36) CCNE1CDK2CDK5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 MLYCD 2843/4885CCNE1 430/4885CDK2 170/4885

“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.