SCHEMBL3067414

SCHEMBL3067414

Cc1cnc2c(S)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 4/20 1.00
COPS5 Q92905 4/20 1.00
KDM4E B2RXH2 2/20 0.62
CCR1 P32246 2/20 0.61
CCR5 P51681 2/20 0.61
CCR8 P51685 2/20 0.61
PARP1 P09874 2/20 0.54
CYP1A2 P05177 2/20 0.50
SLC40A1 Q9NP59 6/20 0.47
CYP2A6 P11509 1/20 0.39
NFKBIA P25963 1/20 0.38

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
SCHEMBL7376462 0.80 PSMD14 (0.67) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL2850764 0.78 PSMD14 (0.65) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL22326604 0.78 PSMD14 (0.64) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL10238875 0.78 PSMD14 (0.64) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL29800848 0.77 KDM4E (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL26074213 0.77 KDM4E (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL6422325 0.77 PSMD14 (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL26314901 0.77 KDM4E (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL3718782 0.77 KDM4E (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL5540860 0.77 PSMD14 (0.62) PSMD14COPS5KDM4ECCR1CCR5

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 8 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
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-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 US disclosed
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 EP disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 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 (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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 PSMD14 1825/4885COPS5 752/4885KDM4E 3090/4885
US-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885COPS5 700/4885KDM4E 3279/4885
US-10005735-B2 Inhibitors of RPN11 POLR2A, RPP30, RPIA PSMD14 418/4885COPS5 700/4885KDM4E 3279/4885

“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.