SCHEMBL3065404

SCHEMBL3065404

CN(C)c1ncnc(C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.40
HSD17B10 Q99714 4/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
CREBBP Q92793 1/20 0.32
DYRK1A Q13627 1/20 0.31
PDE4B Q07343 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL15386156 0.74 POLB (0.37) CYP1A2MAPK1POLBLMNAHTT
SCHEMBL27595897 0.71 TSHR (0.34) KDM4EHSD17B10ALOX15TSHRMAPK1
SCHEMBL4392815 0.70 POLB (0.65) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6650242 0.69 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL2491794 0.69 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL3868153 0.69 HSD17B10 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL29581593 0.69 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL11042356 0.67 PARP10 (0.41) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL2893718 0.66 HSD17B10 (0.41) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL4771472 0.65 KDM4E (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 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 (6 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ALDH1A1 2954/4885KDM4E 1244/4885SMN1; SMN2 3959/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 ALDH1A1 2152/4885KDM4E 1503/4885SMN1; SMN2 4163/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 ALDH1A1 2878/4885KDM4E 2069/4885SMN1; SMN2 4659/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB ALDH1A1 4066/4885KDM4E 3102/4885SMN1; SMN2 4814/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB ALDH1A1 4168/4885KDM4E 2640/4885SMN1; SMN2 4785/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 2147/4885KDM4E 1640/4885SMN1; SMN2 4321/4885

“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.