SCHEMBL948370

SCHEMBL948370

CCCCC(O)c1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ADRB1 P08588 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL21509898 0.84 HTT (0.40) HTTRECQLCCR1CCR8SMN1; SMN2
SCHEMBL1579296 0.83 HTT (0.42) HTTRECQLADRB1CCR1CCR8
SCHEMBL12359188 0.82 HTT (0.39) HTTRECQLCCR1CCR8SMN1; SMN2
SCHEMBL4837461 0.81 IRAK4 (0.39) RECQLADRB1SMN1; SMN2LMNATP53
SCHEMBL4840772 0.81 IRAK4 (0.39) RECQLADRB1SMN1; SMN2LMNATP53
SCHEMBL14382143 0.81 ADRB1 (0.37) RECQLADRB1SMN1; SMN2LMNATP53
SCHEMBL4835904 0.81 IRAK4 (0.39) RECQLADRB1SMN1; SMN2LMNATP53
SCHEMBL24453697 0.81 HTT (0.38) HTTRECQLCCR1CCR8SMN1; SMN2
SCHEMBL13915474 0.79 HTT (0.42) HTTRECQLADRB1CCR1CCR8
SCHEMBL14382038 0.78 KCNH2 (0.36) RECQLADRB1SMN1; SMN2LMNATP53

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-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
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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 (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 HTT 3700/4885RECQL 639/4885ADRB1 22/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 HTT 3700/4885RECQL 639/4885ADRB1 22/4885

“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.