SCHEMBL5564255

SCHEMBL5564255

COc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(SC)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
EIF2AK2 P19525 1/20 0.40
CSNK2A1 P68400 1/20 0.39
ALOX5 P09917 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CREBBP Q92793 1/20 0.37
HTR6 P50406 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 2/20 0.36
CNR1 P21554 1/20 0.36
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5564752 0.88 EIF2AK2 (0.52) MEN1KMT2AATMEIF2AK2CSNK2A1
SCHEMBL5890617 0.86 POLB (0.39) MEN1KMT2AATMEIF2AK2CSNK2A1
SCHEMBL5563977 0.81 MAPK10 (0.45) MEN1KMT2AATMALOX5CREBBP
SCHEMBL5564496 0.79 MEN1 (0.42) MEN1KMT2AATMCSNK2A1ALOX5
SCHEMBL5455719 0.76 MAPK13 (0.40) KMT2AADORA3ADORA2AADORA1RAB9A
SCHEMBL6105305 0.76 EIF2AK2 (0.51) EIF2AK2GSK3B
SCHEMBL6106995 0.75 EIF2AK2 (0.50) EIF2AK2GSK3B
SCHEMBL6106606 0.75 EIF2AK2 (0.50) EIF2AK2GSK3B
SCHEMBL6183539 0.75 GSK3B (0.41) MEN1KMT2AATMEIF2AK2CSNK2A1
SCHEMBL5890132 0.74 EIF2AK2 (0.49) EIF2AK2CCNT1CDK9GSK3B

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
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203106-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 MEN1 464/4885KMT2A 4598/4885ATM 4594/4885

“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.