SCHEMBL10163626

SCHEMBL10163626

CCc1nnc2cc(C)nn2c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.33
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 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
SCHEMBL12797755 0.76 CYP1A2 (0.43) CYP1A2KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL16716677 0.73 CYP1A2 (0.41) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10132581 0.70 KDM4E (0.44) CYP1A2KDM4EALDH1A1MEN1KMT2A
SCHEMBL23571430 0.70 CYP1A2 (0.39) CYP1A2KDM4EMEN1KMT2AHTT
SCHEMBL2362490 0.69 CYP1A2 (0.41) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2362492 0.69 CYP1A2 (0.41) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13754004 0.68 MAPT (0.44) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL14864590 0.68 CYP1A2 (0.55) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2680148 0.68 CYP1A2 (0.47) CYP1A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7801386 0.64 KDM4E (0.49) CYP1A2KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation 4SC AG (DE) 2011-10-27 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 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-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION LEBAN JOHANN 2009-07-09 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 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-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 CYP1A2 2691/4885KDM4E 1469/4885HSD17B10 507/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 CYP1A2 2174/4885KDM4E 1503/4885HSD17B10 1606/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB CYP1A2 3847/4885KDM4E 3102/4885HSD17B10 785/4885
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 CYP1A2 2641/4885KDM4E 1401/4885HSD17B10 519/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB CYP1A2 2166/4885KDM4E 1244/4885HSD17B10 1169/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB CYP1A2 3922/4885KDM4E 2640/4885HSD17B10 1190/4885

“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.