SCHEMBL4138613

SCHEMBL4138613

CC(C)(C)CNc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 14/20 0.53
L3MBTL1 Q9Y468 1/20 0.45
STK17A Q9UEE5 1/20 0.40
NUDT1 P36639 1/20 0.39
PGK1 P00558 1/20 0.39
PRKCQ Q04759 1/20 0.38
MAPT P10636 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
SCHEMBL13924904 0.86 NUDT1 (0.39) PIN1L3MBTL1STK17ANUDT1
SCHEMBL20529657 0.86 PIN1 (0.53) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL19665707 0.85 PIN1 (0.51) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL1804900 0.84 PIN1 (0.57) PIN1L3MBTL1STK17APGK1PRKCQ
SCHEMBL28639498 0.81 PIN1 (0.44) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL29802575 0.81 STK17A (0.49) PIN1L3MBTL1STK17AMAPT
SCHEMBL28657847 0.81 PIN1 (0.57) PIN1L3MBTL1STK17APRKCQMAPT
SCHEMBL12876599 0.79 L3MBTL1 (0.71) PIN1L3MBTL1STK17APGK1PRKCQ
SCHEMBL4867295 0.79 PIN1 (0.61) PIN1L3MBTL1
SCHEMBL3158536 0.78 PIN1 (0.55) PIN1L3MBTL1STK17APRKCQMAPT

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-8808952-B2 Composition for forming charge transporting film, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-08-19 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ PIN1 552/4885L3MBTL1 4696/4885STK17A 252/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ PIN1 552/4885L3MBTL1 4696/4885STK17A 252/4885

“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.