SCHEMBL5520232

SCHEMBL5520232

CC(=O)Nc1ccnc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.56
TYK2 P29597 2/20 0.56
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 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 0.81 KDM5A (0.54) JAK2TYK2ALDH1A1KDM4EMEN1
SCHEMBL13165570 0.79 TYK2 (0.66) JAK2TYK2ALDH1A1KDM4EMEN1
SCHEMBL7672757 0.79 SMARCA2 (0.63) JAK2TYK2ALDH1A1TDP1KDM4E
SCHEMBL5520229 0.79 KDM4E (0.49) JAK2TYK2ALDH1A1TDP1KDM4E
SCHEMBL14168412 0.79 ALDH1A1 (0.52) JAK2TYK2ALDH1A1TDP1KDM4E
SCHEMBL3244565 0.78 AR (0.56) JAK2TYK2ALDH1A1KDM4EMEN1
SCHEMBL9687074 0.78 TYK2 (0.49) JAK2TYK2ALDH1A1KDM4EMEN1
SCHEMBL21212495 0.78 KDM4E (0.47) JAK2TYK2ALDH1A1TDP1KDM4E
SCHEMBL16305244 0.78 KDM4E (0.47) JAK2TYK2ALDH1A1KDM4EMEN1
SCHEMBL7672749 0.78 KDM4E (0.47) JAK2TYK2ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382971-B2 Mevalonate pathway inhibitor as highly-efficient vaccine adjuvant TSINGHUA UNIVERSITY (CN) 2022-07-12 US disclosed
US-20190321465-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT TSINGHUA UNIVERSITY (CN) 2019-10-24 US disclosed
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 (3 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 JAK2 1468/4885TYK2 249/4885ALDH1A1 3930/4885
US-20190321465-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT GGPS1, HMGCR, COASY JAK2 4040/4885TYK2 2865/4885ALDH1A1 2767/4885
US-11382971-B2 Mevalonate pathway inhibitor as highly-efficient vaccine adjuvant GGPS1, HMGCR, COASY JAK2 4039/4885TYK2 2874/4885ALDH1A1 2785/4885

“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.