SCHEMBL214568

SCHEMBL214568

CN1CCN(CCOc2ccc(N)c(N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LTA4H P09960 3/20 0.55
HRH3 Q9Y5N1 3/20 0.55
DRD3 P35462 1/20 0.55
SIGMAR1 Q99720 1/20 0.52
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL216799 0.92 HRH3 (0.65) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL10176156 0.88 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL2204177 0.85 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL214233 0.84 KMT2A (0.49) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL3383766 0.83 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL76551 0.82 LTA4H (0.69) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL31103176 0.81 TGFBR1 (0.51) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL216071 0.81 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1LTA4H
SCHEMBL12005974 0.81 HRH3 (0.62) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL12639831 0.80 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1LTA4H

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MEN1 3504/4885KMT2A 437/4885KDM4E 952/4885

“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.