SCHEMBL13046482

SCHEMBL13046482

COc1ccc(CN2CCN(C)CC2C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 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
SCHEMBL4710879 0.77 L3MBTL1 (0.44) MAPK1MAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL4711921 0.77 L3MBTL1 (0.44) MAPK1MAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL4710533 0.77 L3MBTL1 (0.44) MAPK1MAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL28248487 0.75 SIGMAR1 (0.44) SIGMAR1ALDH1A1KDM4E
SCHEMBL30361421 0.75 ALDH1A1 (0.60) MAPTSIGMAR1LMNAALDH1A1KDM4E
SCHEMBL12359560 0.75 KMT2A (0.50) MAPK1MAPTSMN1; SMN2SIGMAR1LMNA
SCHEMBL14930169 0.74 MC4R (0.53) MAPTSIGMAR1
SCHEMBL5905131 0.74 MAPT (0.41) MAPK1MAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL14452979 0.74 L3MBTL1 (0.42) MAPK1MAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL4710393 0.74 CRHBP (0.41) MAPK1MAPTCRHBPCRHR2SMN1; SMN2

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 MAPK1 1627/4885MAPT 3471/4885CRHBP 2818/4885

“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.