SCHEMBL842844

SCHEMBL842844

Oc1cc2nnnn2c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.38
L3MBTL1 Q9Y468 9/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
BRD4 O60885 3/20 0.37
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
TSHR P16473 2/20 0.37
MMP2 P08253 1/20 0.37
CHRM1 P11229 1/20 0.37
COMT P21964 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HSP90AA1 P07900 3/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
IDO1 P14902 2/20 0.37
MPI P34949 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL6098707 0.77 ALDH1A1 (0.43) KDM4ENPC1RAB9ATSHRMAPT
SCHEMBL3353113 0.76 KDM4E (0.36) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL8145176 0.70 MIF (0.33) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL23293509 0.66 ADORA3 (0.49) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL843296 0.66 MEN1 (0.38) KDM4EL3MBTL1NPC1RAB9ATSHR
SCHEMBL842306 0.64 MAPT (0.42) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL3354876 0.64 L3MBTL1 (0.39) KDM4EL3MBTL1BRD4METAP2METAP1
SCHEMBL20674196 0.63 HTT (0.46) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL1920452 0.63 KDM4E (0.70) KDM4EL3MBTL1NPC1RAB9ABRD4
SCHEMBL4191862 0.62 POLB (0.43) KDM4EL3MBTL1NPC1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1512685-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2005-03-09 EP 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 KDM4E 2804/4885L3MBTL1 3821/4885NPC1 3792/4885

“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.