SCHEMBL214233

SCHEMBL214233

Nc1ccc(OCCN2CCN(CCCO)CC2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
HRH3 Q9Y5N1 4/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD3 P35462 2/20 0.45
ESRRG P62508 3/20 0.44
ESR1 P03372 2/20 0.44
LTA4H P09960 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ESRRB O95718 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL214568 0.84 MEN1 (0.57) KMT2ALMNAHRH3MAPK1HTT
SCHEMBL214731 0.82 KDM4E (0.51) KMT2AHRH3MAPK1HTTSMN1; SMN2
SCHEMBL216799 0.82 HRH3 (0.65) KMT2AHRH3DRD3ALDH1A1KDM4E
SCHEMBL2890075 0.82 HRH3 (0.61) KMT2AHRH3KDM4EMEN1
SCHEMBL7593896 0.81 NR4A1 (0.50) KMT2AALDH1A1MEN1
SCHEMBL1622564 0.81 HRH3 (0.64) HRH3KDM4E
SCHEMBL3383766 0.79 ALDH1A1 (0.65) KMT2ALMNAHRH3MAPK1SMN1; SMN2
SCHEMBL16742381 0.78 NR4A1 (0.47) CYP2D6HRH3DRD3
SCHEMBL216843 0.76 LTA4H (0.44) KMT2ACYP2D6LMNAPOLBDRD3
SCHEMBL15157136 0.76 NR4A1 (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1

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-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
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

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 KMT2A 437/4885CYP2D6 2567/4885LMNA 4821/4885

“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.