SCHEMBL13046396

SCHEMBL13046396

CCN(CC)CCN(C)C1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.39
NOS2 P35228 6/20 0.38
NOS3 P29474 5/20 0.38
NOS1 P29475 5/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
KMT2A Q03164 1/20 0.33
NCF1 P14598 1/20 0.33
NMT1 P30419 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL16803622 0.89 KDM4E (0.43) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL26022681 0.83 KDM4E (0.62) KDM4EALDH1A1HTR2AHTR2CKMT2A
SCHEMBL14980283 0.82 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13162838 0.82 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL8854868 0.81 KDM4E (0.44) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL17285923 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL16222435 0.77 GNAI3 (0.44) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13209122 0.76 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL19604923 0.76 GNAI3 (0.47) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL24352097 0.74 NCF1 (0.43) KDM4EALDH1A1NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 KDM4E 1813/4885ALDH1A1 381/4885NOS2 205/4885

“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.