SCHEMBL947047

SCHEMBL947047

CCC([C]=O)Sc1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.52
RXFP1 Q9HBX9 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK10 P53779 2/20 0.52
HPGD P15428 1/20 0.50
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
NCF1 P14598 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
SCHEMBL29752859 0.73 RXFP1 (0.65) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL10424135 0.73 RXFP1 (0.65) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL2851004 0.70 RXFP1 (0.50) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL8347789 0.70 PRNP (0.59) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL946994 0.70 ALDH1A1 (0.41) NPSR1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL10708870 0.68 PRNP (0.57) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL11875638 0.68 RXFP1 (0.75) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL10424110 0.67 PRNP (0.61) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL11326601 0.67 RXFP1 (0.50) PRNPRXFP1NPSR1ALDH1A1KDM4E
SCHEMBL2817162 0.67 CYP1A2 (0.58) PRNPRXFP1NPSR1ALDH1A1KDM4E

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 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
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 (2 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 PRNP 4331/4885RXFP1 243/4885NPSR1 527/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 PRNP 4331/4885RXFP1 243/4885NPSR1 527/4885

“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.