SCHEMBL21114478

SCHEMBL21114478

Cn1ncc2c(Cl)nc(NC(=O)O)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
KMT2A Q03164 8/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 6/20 0.40
HCRTR1 O43613 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S1PR2 O95136 4/20 0.39

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
SCHEMBL19966411 0.81 BCDIN3D (0.40) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL18343699 0.74 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL29950508 0.74 PDE2A (0.43) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL27028464 0.74 PDE2A (0.43) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL17889388 0.73 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL55774 0.72 PDE2A (0.64) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL4918794 0.70 ALDH1A1 (0.44) KMT2AKDM4EMAPTALDH1A1MEN1
SCHEMBL24954062 0.69 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL31106964 0.69 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL16517280 0.68 PDE2A (0.54) PDE2AKMT2AKDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510033-B1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-11-24 EP disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors NOVARTIS AG (CH) 2021-03-23 US disclosed
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 US 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-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 PDE2A 2973/4885KMT2A 3726/4885KDM4E 1751/4885
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 PDE2A 2973/4885KMT2A 3726/4885KDM4E 1751/4885
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors TLR3, TLR1, TLR4 PDE2A 2973/4885KMT2A 3726/4885KDM4E 1751/4885

“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.