SCHEMBL4134218

SCHEMBL4134218

O=C1CN(Cc2ccc(Cl)cc2Cl)C(=O)[N]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
FADS1 O60427 1/20 0.44
CYP2A13 Q16696 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 1/20 0.42
COMT P21964 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4133922 0.81 DRD2 (0.49) P2RX7LMNAMAPTCYP2A13SIGMAR1
SCHEMBL4154502 0.79 ERCC1 (0.43) P2RX7LMNAALDH1A1MAPTSIGMAR1
SCHEMBL8360735 0.72 ACHE (0.50) P2RX7LMNAALDH1A1MAPTTSHR
SCHEMBL30798198 0.71 KMT2A (0.57) P2RX7LMNAALDH1A1MAPTCYP2A13
SCHEMBL11799876 0.71 ALDH1A1 (0.62) P2RX7LMNAALDH1A1MAPTFADS1
SCHEMBL13613506 0.70 MEN1 (0.55) P2RX7LMNAALDH1A1MAPTSIGMAR1
SCHEMBL4137157 0.69 ALDH1A1 (0.53) P2RX7ALDH1A1MAPTCYP2A13TSHR
SCHEMBL19370620 0.69 DDB1 (0.55) P2RX7LMNAALDH1A1MAPTCYP2A13
SCHEMBL4955350 0.69 LOXL2 (0.44) P2RX7ALDH1A1MAPTKDM4EPOLB
SCHEMBL11848182 0.68 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTTSHRSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 P2RX7 608/4885LMNA 4184/4885ALDH1A1 2931/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ P2RX7 608/4885LMNA 4184/4885ALDH1A1 2931/4885

“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.