SCHEMBL4554547

SCHEMBL4554547

Sc1ccnc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 4/20 0.56
COPS5 Q92905 4/20 0.56
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
HSP90AA1 P07900 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GMNN O75496 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6246381 0.86 PSMD14 (0.56) PSMD14COPS5ALDH1A1KDM4EMAPT
SCHEMBL30906615 0.78 KDM4E (0.50) PSMD14COPS5ALDH1A1KDM4EMAPT
SCHEMBL11391 0.74 KDM4E (0.46) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1901071 0.74 KDM4E (0.46) PSMD14COPS5ALDH1A1KDM4EMAPT
SCHEMBL1773094 0.74 PRMT5 (0.53) PSMD14COPS5ALDH1A1KDM4EMAPT
SCHEMBL2007574 0.74 ALDH1A1 (0.44) PSMD14COPS5ALDH1A1KDM4EMAPT
SCHEMBL276385 0.74 METAP2 (0.54) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL544243 0.74 NCF1 (0.54) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL29577533 0.74 METAP2 (0.54) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1426892 0.74 KDM4E (0.46) ALDH1A1KDM4EMAPTPOLBMEN1

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-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
US-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
US-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
WO-2017031255-A1 INHIBITORS OF RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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 (2 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-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885COPS5 700/4885ALDH1A1 1984/4885
US-10005735-B2 Inhibitors of RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885COPS5 700/4885ALDH1A1 1984/4885

“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.