SCHEMBL5520229

SCHEMBL5520229

CC(=O)Nc1ccnc([NH])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL197857 0.82 KDM5A (0.54) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL14168412 0.81 ALDH1A1 (0.52) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL13165570 0.81 TYK2 (0.66) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7672757 0.81 SMARCA2 (0.63) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL3244565 0.79 AR (0.56) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL21212495 0.79 KDM4E (0.47) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL16305244 0.79 KDM4E (0.47) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL9687074 0.79 TYK2 (0.49) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL5520232 0.79 JAK2 (0.56) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL7672749 0.79 KDM4E (0.47) KDM4EMEN1KMT2AMAPTNPC1

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
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 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-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 KDM4E 1298/4885MEN1 4192/4885KMT2A 2546/4885

“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.