SCHEMBL3402935

SCHEMBL3402935

Nc1ccc(OCC2CCOCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
DCPS Q96C86 1/20 0.44
EP300 Q09472 1/20 0.41
FEN1 P39748 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
PIM1 P11309 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
XDH P47989 1/20 0.36
FFAR2 O15552 1/20 0.36
CYP2D6 P10635 1/20 0.36
GRM4 Q14833 1/20 0.36
PTGES O14684 1/20 0.35
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2698965 0.89 EP300 (0.46) EP300MEN1KMT2AKDM4EHSD11B1
SCHEMBL30126846 0.89 EP300 (0.46) EP300MEN1KMT2AKDM4EHSD11B1
SCHEMBL29015226 0.84 KDM4E (0.39) EP300TLR7MCHR1MEN1KMT2A
SCHEMBL20775288 0.81 KDM1A (0.42) DHFRDCPSEP300FEN1TLR7
SCHEMBL2228610 0.79 ATM (0.42) EP300
SCHEMBL18809831 0.79 ALDH1A1 (0.42) DHFRDCPSFEN1TLR7PIM1
SCHEMBL19449839 0.79 EP300 (0.40) EP300MEN1KMT2AKDM4EHSD11B1
SCHEMBL14167604 0.78 PIM1 (0.39) DHFRDCPSFEN1PIM1XDH
SCHEMBL3396466 0.78 PIK3CA (0.41) DHFRFEN1MEN1KMT2AKDM4E
SCHEMBL14320483 0.77 PARP15 (0.47) DHFRDCPSXDH

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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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 (1 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 DHFR 653/4885DCPS 1896/4885EP300 1323/4885

“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.